C202-2975 Screening compound: 9-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-2975 Screening compound: 9-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-2975 Screening compound: 9-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-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 C202-2975
9-(3,4-dimethoxyphenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-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

C202-2975

Molecular Formula

C28H32N4O3S (C28 H32 N4 O3 S)

Compound Name

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

IUPAC name

9-(34-dimethoxyphenyl)-2-{[(24-dimethylphenyl)methyl]sulfanyl}-66-dimethyl-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SCc3c(C)cc(C)cc3)nn2C2c(cc3)cc(OC)c3OC)=C2C1=O

InChI

InChI=1S/C28H32N4O3S/c1-16-7-8-19(17(2)11-16)15-36-27-30-26-29-20-13-28(3,4)14-21(33)24(20)25(32(26)31-27)18-9-10-22(34-5)23(12-18)35-6/h7-12,25H,13-15H2,1-6H3,(H,29,30,31)/t25-/m0/s1

InChI Key

PIUQVMGRQUSHGE-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14731410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.977

Distribution Coefficient, logD

5.838

Water Solubility, LogSw

-5.44

Polar Surface Area

64.327

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

C202-2975 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 C202-2975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2975?
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What is the minimum amount of C202-2975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2975
  • 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 C202-2975 available by request