C202-2742 Screening compound: 9-(3-chlorophenyl)-6,6-dimethyl-2-(methylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-2742 Screening compound: 9-(3-chlorophenyl)-6,6-dimethyl-2-(methylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-2742 Screening compound: 9-(3-chlorophenyl)-6,6-dimethyl-2-(methylsulfanyl)-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 C202-2742
9-(3-chlorophenyl)-6,6-dimethyl-2-(methylsulfanyl)-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

C202-2742

Molecular Formula

C18H19ClN4OS (C18 H19 ClN4 OS)

Compound Name

9-(3-chlorophenyl)-6,6-dimethyl-2-(methylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(3-chlorophenyl)-66-dimethyl-2-(methylsulfanyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SC)nn2C2c3cccc(Cl)c3)=C2C1=O

InChI

InChI=1S/C18H19ClN4OS/c1-18(2)8-12-14(13(24)9-18)15(10-5-4-6-11(19)7-10)23-16(20-12)21-17(22-23)25-3/h4-7,15H,8-9H2,1-3H3,(H,20,21,22)/t15-/m0/s1

InChI Key

CFGVPMYXISUWMY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06193217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.344

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.54

Polar Surface Area

49.338

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

C202-2742 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-2742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2742?
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What is the minimum amount of C202-2742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2742
  • 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 C202-2742 available by request