C336-0031 Screening compound: N~1~-ETHYL-N~1~-(3-METHYLPHENYL)-2-[(2-OXO-3-PHENYL-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETAMIDE

C336-0031 Screening compound: N~1~-ETHYL-N~1~-(3-METHYLPHENYL)-2-[(2-OXO-3-PHENYL-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETAMIDE
C336-0031 Screening compound: N~1~-ETHYL-N~1~-(3-METHYLPHENYL)-2-[(2-OXO-3-PHENYL-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0031
N~1~-ETHYL-N~1~-(3-METHYLPHENYL)-2-[(2-OXO-3-PHENYL-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETAMIDE

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

C336-0031

Molecular Formula

C27H24N4O2S (C27 H24 N4 O2 S)

Compound Name

N~1~-ETHYL-N~1~-(3-METHYLPHENYL)-2-[(2-OXO-3-PHENYL-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETAMIDE

IUPAC name

n/a

SMILES

CCN(C(CSC(N1C2c3ccccc3)=Nc(cccc3)c3C1=NC2=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C27H24N4O2S/c1-3-30(20-13-9-10-18(2)16-20)23(32)17-34-27-28-22-15-8-7-14-21(22)25-29-26(33)24(31(25)27)19-11-5-4-6-12-19/h4-16,24H,3,17H2,1-2H3/t24-/m1/s1

InChI Key

GNFLVROKOKSTHM-XMMPIXPASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.644

Water Solubility, LogSw

-4.53

Polar Surface Area

50.291

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

C336-0031 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 C336-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0031?
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What is the minimum amount of C336-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0031
  • 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 C336-0031 available by request