8012-9629 Screening compound: N-(4-chlorophenyl)-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

8012-9629 Screening compound: N-(4-chlorophenyl)-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
8012-9629 Screening compound: N-(4-chlorophenyl)-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9629
N-(4-chlorophenyl)-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-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

8012-9629

Molecular Formula

C23H18ClN3O2S (C23 H18 ClN3 O2 S)

Compound Name

N-(4-chlorophenyl)-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-chlorophenyl)-2-{[3-(2-methylphenyl)-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}acetamide

SMILES

Cc(cccc1)c1N1C(SCC(Nc(cc2)ccc2Cl)=O)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C23H18ClN3O2S/c1-15-6-2-5-9-20(15)27-22(29)18-7-3-4-8-19(18)26-23(27)30-14-21(28)25-17-12-10-16(24)11-13-17/h2-13H,14H2,1H3,(H,25,28)

InChI Key

LKRAHALRLPBCCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03231131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.597

Distribution Coefficient, logD

4.597

Water Solubility, LogSw

-4.84

Polar Surface Area

48.008

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8012-9629 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8012-9629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9629?
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What is the minimum amount of 8012-9629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9629
  • 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 8012-9629 available by request