C202-2879 Screening compound: 9-(4-bromophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-2879 Screening compound: 9-(4-bromophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-2879 Screening compound: 9-(4-bromophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-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 C202-2879
9-(4-bromophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-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

C202-2879

Molecular Formula

C25H23BrN4O2S (C25 H23 BrN4 O2 S)

Compound Name

9-(4-bromophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(4-bromophenyl)-66-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SCC(c3ccccc3)=O)nn2C2c(cc3)ccc3Br)=C2C1=O

InChI

InChI=1S/C25H23BrN4O2S/c1-25(2)12-18-21(19(31)13-25)22(16-8-10-17(26)11-9-16)30-23(27-18)28-24(29-30)33-14-20(32)15-6-4-3-5-7-15/h3-11,22H,12-14H2,1-2H3,(H,27,28,29)/t22-/m0/s1

InChI Key

RKRSTMPFUYMMNS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14731333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.479

Distribution Coefficient, logD

5.340

Water Solubility, LogSw

-5.54

Polar Surface Area

62.314

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

C202-2879 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C202-2879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2879?
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What is the minimum amount of C202-2879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2879
  • 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 C202-2879 available by request