C202-2988 Screening compound: 9-(4-fluorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-2988 Screening compound: 9-(4-fluorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-2988 Screening compound: 9-(4-fluorophenyl)-2-{[(3-fluorophenyl)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 C202-2988
9-(4-fluorophenyl)-2-{[(3-fluorophenyl)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

C202-2988

Molecular Formula

C24H22F2N4OS (C24 H22 F2 N4 OS)

Compound Name

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

IUPAC name

9-(4-fluorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-66-dimethyl-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SCc3cc(F)ccc3)nn2C2c(cc3)ccc3F)=C2C1=O

InChI

InChI=1S/C24H22F2N4OS/c1-24(2)11-18-20(19(31)12-24)21(15-6-8-16(25)9-7-15)30-22(27-18)28-23(29-30)32-13-14-4-3-5-17(26)10-14/h3-10,21H,11-13H2,1-2H3,(H,27,28,29)/t21-/m0/s1

InChI Key

HTLHEBRIVSYYAI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14731416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

5.238

Water Solubility, LogSw

-5.45

Polar Surface Area

49.067

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C202-2988 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 C202-2988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2988?
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What is the minimum amount of C202-2988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2988
  • 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 C202-2988 available by request