C202-2759 Screening compound: 6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-2759 Screening compound: 6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-2759 Screening compound: 6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2759
6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

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

C202-2759

Molecular Formula

C23H24N4OS2 (C23 H24 N4 OS2)

Compound Name

6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

66-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SCc3c(C)cccc3)nn2C2c3cccs3)=C2C1=O

InChI

InChI=1S/C23H24N4OS2/c1-14-7-4-5-8-15(14)13-30-22-25-21-24-16-11-23(2,3)12-17(28)19(16)20(27(21)26-22)18-9-6-10-29-18/h4-10,20H,11-13H2,1-3H3,(H,24,25,26)/t20-/m0/s1

InChI Key

DNIAJIIBCUUTBY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14731237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.650

Distribution Coefficient, logD

5.464

Water Solubility, LogSw

-5.45

Polar Surface Area

50.085

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C202-2759 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C202-2759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2759?
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What is the minimum amount of C202-2759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2759
  • 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 C202-2759 available by request