C336-0070 Screening compound: N~1~-(2-FURYLMETHYL)-3-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

C336-0070 Screening compound: N~1~-(2-FURYLMETHYL)-3-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE
C336-0070 Screening compound: N~1~-(2-FURYLMETHYL)-3-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0070
N~1~-(2-FURYLMETHYL)-3-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)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

C336-0070

Molecular Formula

C30H30N6O4S (C30 H30 N6 O4 S)

Compound Name

N~1~-(2-FURYLMETHYL)-3-(2-OXO-5-{[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]SULFANYL}-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)PROPANAMIDE

IUPAC name

n/a

SMILES

O=C(CCC1N2C(SCC(N(CC3)CCN3c3ccccc3)=O)=Nc(cccc3)c3C2=NC1=O)NCc1ccco1

InChI

InChI=1S/C30H30N6O4S/c37-26(31-19-22-9-6-18-40-22)13-12-25-29(39)33-28-23-10-4-5-11-24(23)32-30(36(25)28)41-20-27(38)35-16-14-34(15-17-35)21-7-2-1-3-8-21/h1-11,18,25H,12-17,19-20H2,(H,31,37)/t25-/m0/s1

InChI Key

GACZXPNIIFPKHQ-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-3.59

Polar Surface Area

87.025

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C336-0070 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C336-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0070?
Check Price and Availability of C336-0070, 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 C336-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0070
  • 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 C336-0070 available by request