C118-0092 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C118-0092 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C118-0092 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-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 C118-0092
2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-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

C118-0092

Molecular Formula

C23H21ClN4O2S (C23 H21 ClN4 O2 S)

Compound Name

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

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

COc1ccc(C(C(C(CCC2)=O)=C2Nc2n3)n2nc3SCc(cccc2)c2Cl)cc1

InChI

InChI=1S/C23H21ClN4O2S/c1-30-16-11-9-14(10-12-16)21-20-18(7-4-8-19(20)29)25-22-26-23(27-28(21)22)31-13-15-5-2-3-6-17(15)24/h2-3,5-6,9-12,21H,4,7-8,13H2,1H3,(H,25,26,27)/t21-/m0/s1

InChI Key

RFEFSPZBVXRPDV-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.261

Distribution Coefficient, logD

5.199

Water Solubility, LogSw

-5.88

Polar Surface Area

56.610

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C118-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C118-0092
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Delivery formats for C118-0092
  • 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 C118-0092 available by request