C336-0072 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~-(2-FURYLMETHYL)PROPANAMIDE

C336-0072 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~-(2-FURYLMETHYL)PROPANAMIDE
C336-0072 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~-(2-FURYLMETHYL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0072
3-(5-{[2-(3-CHLORO-4-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-FURYLMETHYL)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

C336-0072

Molecular Formula

C27H24ClN5O5S (C27 H24 ClN5 O5 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~-(2-FURYLMETHYL)PROPANAMIDE

IUPAC name

n/a

SMILES

COc(ccc(NC(CSC(N1C2CCC(NCc3ccco3)=O)=Nc(cccc3)c3C1=NC2=O)=O)c1)c1Cl

InChI

InChI=1S/C27H24ClN5O5S/c1-37-22-10-8-16(13-19(22)28)30-24(35)15-39-27-31-20-7-3-2-6-18(20)25-32-26(36)21(33(25)27)9-11-23(34)29-14-17-5-4-12-38-17/h2-8,10,12-13,21H,9,11,14-15H2,1H3,(H,29,34)(H,30,35)/t21-/m0/s1

InChI Key

KNCZNKNMFRYCNI-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.04

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.80

Polar Surface Area

98.152

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C336-0072 in Drug Discovery

Included in Screening Libraries

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 C336-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0072?
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What is the minimum amount of C336-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0072
  • 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 C336-0072 available by request