C336-0076 Screening compound: 3-(5-{[2-(2-ETHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-FURYLMETHYL)PROPANAMIDE

C336-0076 Screening compound: 3-(5-{[2-(2-ETHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-FURYLMETHYL)PROPANAMIDE
C336-0076 Screening compound: 3-(5-{[2-(2-ETHOXYANILINO)-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 C336-0076
3-(5-{[2-(2-ETHOXYANILINO)-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

C336-0076

Molecular Formula

C28H27N5O5S (C28 H27 N5 O5 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCOc(cccc1)c1NC(CSC(N1C2CCC(NCc3ccco3)=O)=Nc(cccc3)c3C1=NC2=O)=O

InChI

InChI=1S/C28H27N5O5S/c1-2-37-23-12-6-5-11-21(23)30-25(35)17-39-28-31-20-10-4-3-9-19(20)26-32-27(36)22(33(26)28)13-14-24(34)29-16-18-8-7-15-38-18/h3-12,15,22H,2,13-14,16-17H2,1H3,(H,29,34)(H,30,35)/t22-/m0/s1

InChI Key

ZDUUIICRADCHCP-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.994

Distribution Coefficient, logD

2.993

Water Solubility, LogSw

-3.67

Polar Surface Area

97.034

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C336-0076 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 C336-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0076?
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What is the minimum amount of C336-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0076
  • 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 C336-0076 available by request