C202-2809 Screening compound: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-2809 Screening compound: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-2809 Screening compound: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-9-(4-nitrophenyl)-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 C202-2809
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-9-(4-nitrophenyl)-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

C202-2809

Molecular Formula

C25H22FN5O4S (C25 H22 FN5 O4 S)

Compound Name

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

IUPAC name

2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-66-dimethyl-9-(4-nitrophenyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SCC(c(cc3)ccc3F)=O)nn2C2c(cc3)ccc3[N+]([O-])=O)=C2C1=O

InChI

InChI=1S/C25H22FN5O4S/c1-25(2)11-18-21(19(32)12-25)22(15-5-9-17(10-6-15)31(34)35)30-23(27-18)28-24(29-30)36-13-20(33)14-3-7-16(26)8-4-14/h3-10,22H,11-13H2,1-2H3,(H,27,28,29)/t22-/m0/s1

InChI Key

CIHLPYMRBFYASB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14731279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.705

Distribution Coefficient, logD

4.566

Water Solubility, LogSw

-4.51

Polar Surface Area

95.695

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

C202-2809 in Drug Discovery

Included in Screening Libraries

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
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C202-2809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2809?
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What is the minimum amount of C202-2809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2809
  • 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 C202-2809 available by request