C202-2873 Screening compound: 9-(2,4-dichlorophenyl)-6,6-dimethyl-2-(pentylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-2873 Screening compound: 9-(2,4-dichlorophenyl)-6,6-dimethyl-2-(pentylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-2873 Screening compound: 9-(2,4-dichlorophenyl)-6,6-dimethyl-2-(pentylsulfanyl)-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 C202-2873
9-(2,4-dichlorophenyl)-6,6-dimethyl-2-(pentylsulfanyl)-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

C202-2873

Molecular Formula

C22H26Cl2N4OS (C22 H26 Cl2 N4 OS)

Compound Name

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

IUPAC name

9-(24-dichlorophenyl)-66-dimethyl-2-(pentylsulfanyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CCCCCSc1nn(C(c(ccc(Cl)c2)c2Cl)C(C(CC(C)(C)C2)=O)=C2N2)c2n1

InChI

InChI=1S/C22H26Cl2N4OS/c1-4-5-6-9-30-21-26-20-25-16-11-22(2,3)12-17(29)18(16)19(28(20)27-21)14-8-7-13(23)10-15(14)24/h7-8,10,19H,4-6,9,11-12H2,1-3H3,(H,25,26,27)/t19-/m0/s1

InChI Key

YHICITJUDXIXHU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14731329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.266

Distribution Coefficient, logD

7.099

Water Solubility, LogSw

-6.39

Polar Surface Area

49.338

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C202-2873 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Aurora A-B Kinases Targeted Library (9426 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 C202-2873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2873?
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What is the minimum amount of C202-2873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2873
  • 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 C202-2873 available by request