C336-0085 Screening compound: N~1~-CYCLOHEXYL-3-[2-OXO-5-({2-OXO-2-[3-(TRIFLUOROMETHYL)ANILINO]ETHYL}SULFANYL)-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]PROPANAMIDE

C336-0085 Screening compound: N~1~-CYCLOHEXYL-3-[2-OXO-5-({2-OXO-2-[3-(TRIFLUOROMETHYL)ANILINO]ETHYL}SULFANYL)-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]PROPANAMIDE
C336-0085 Screening compound: N~1~-CYCLOHEXYL-3-[2-OXO-5-({2-OXO-2-[3-(TRIFLUOROMETHYL)ANILINO]ETHYL}SULFANYL)-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0085
N~1~-CYCLOHEXYL-3-[2-OXO-5-({2-OXO-2-[3-(TRIFLUOROMETHYL)ANILINO]ETHYL}SULFANYL)-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]PROPANAMIDE

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C336-0085

Molecular Formula

C28H28F3N5O3S (C28 H28 F3 N5 O3 S)

Compound Name

N~1~-CYCLOHEXYL-3-[2-OXO-5-({2-OXO-2-[3-(TRIFLUOROMETHYL)ANILINO]ETHYL}SULFANYL)-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]PROPANAMIDE

IUPAC name

n/a

SMILES

O=C(CCC1N2C(SCC(Nc3cc(C(F)(F)F)ccc3)=O)=Nc(cccc3)c3C2=NC1=O)NC1CCCCC1

InChI

InChI=1S/C28H28F3N5O3S/c29-28(30,31)17-7-6-10-19(15-17)33-24(38)16-40-27-34-21-12-5-4-11-20(21)25-35-26(39)22(36(25)27)13-14-23(37)32-18-8-2-1-3-9-18/h4-7,10-12,15,18,22H,1-3,8-9,13-14,16H2,(H,32,37)(H,33,38)/t22-/m0/s1

InChI Key

GINZBTXNNOTZCH-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.44

Polar Surface Area

82.498

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

C336-0085 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C336-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0085?
Check Price and Availability of C336-0085, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C336-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0085
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C336-0085 available by request