C118-0160 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-9-(4-hydroxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C118-0160 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-9-(4-hydroxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C118-0160 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-9-(4-hydroxyphenyl)-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 C118-0160
2-{[(2-fluorophenyl)methyl]sulfanyl}-9-(4-hydroxyphenyl)-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

C118-0160

Molecular Formula

C24H23FN4O2S (C24 H23 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(Nc2nc(SCc(cccc3)c3F)nn2C2c(cc3)ccc3O)=C2C1=O

InChI

InChI=1S/C24H23FN4O2S/c1-24(2)11-18-20(19(31)12-24)21(14-7-9-16(30)10-8-14)29-22(26-18)27-23(28-29)32-13-15-5-3-4-6-17(15)25/h3-10,21,30H,11-13H2,1-2H3,(H,26,27,28)/t21-/m0/s1

InChI Key

BRRFFXMMQMCGOH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04457069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.892

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-4.48

Polar Surface Area

66.684

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C118-0160 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 C118-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C118-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C118-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C118-0160
  • 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 C118-0160 available by request