C336-0088 Screening compound: 3-(5-{[2-(3-CHLORO-4-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-CYCLOHEXYLPROPANAMIDE

C336-0088 Screening compound: 3-(5-{[2-(3-CHLORO-4-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-CYCLOHEXYLPROPANAMIDE
C336-0088 Screening compound: 3-(5-{[2-(3-CHLORO-4-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-CYCLOHEXYLPROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0088
3-(5-{[2-(3-CHLORO-4-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-CYCLOHEXYLPROPANAMIDE

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

C336-0088

Molecular Formula

C28H30ClN5O4S (C28 H30 ClN5 O4 S)

Compound Name

3-(5-{[2-(3-CHLORO-4-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-CYCLOHEXYLPROPANAMIDE

IUPAC name

n/a

SMILES

COc(ccc(NC(CSC(N1C2CCC(NC3CCCCC3)=O)=Nc(cccc3)c3C1=NC2=O)=O)c1)c1Cl

InChI

InChI=1S/C28H30ClN5O4S/c1-38-23-13-11-18(15-20(23)29)31-25(36)16-39-28-32-21-10-6-5-9-19(21)26-33-27(37)22(34(26)28)12-14-24(35)30-17-7-3-2-4-8-17/h5-6,9-11,13,15,17,22H,2-4,7-8,12,14,16H2,1H3,(H,30,35)(H,31,36)/t22-/m0/s1

InChI Key

ACFBFOFWZSPXBS-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.1

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.923

Water Solubility, LogSw

-4.39

Polar Surface Area

90.128

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

C336-0088 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 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:
  • 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 C336-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0088?
Check Price and Availability of C336-0088, 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 C336-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0088
  • 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 C336-0088 available by request