F831-0959 Screening compound: N~1~-(2-chloro-4-methylphenyl)-2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

F831-0959 Screening compound: N~1~-(2-chloro-4-methylphenyl)-2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
F831-0959 Screening compound: N~1~-(2-chloro-4-methylphenyl)-2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-0959
N~1~-(2-chloro-4-methylphenyl)-2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

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

F831-0959

Molecular Formula

C24H21ClN6OS (C24 H21 ClN6 OS)

Compound Name

N~1~-(2-chloro-4-methylphenyl)-2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(2-chloro-4-methylphenyl)-2-{[11-(25-dimethylphenyl)-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl]sulfanyl}acetamide

SMILES

Cc1cc(-c2nn(ccn3c(SCC(Nc(ccc(C)c4)c4Cl)=O)nnc33)c3c2)c(C)cc1

InChI

InChI=1S/C24H21ClN6OS/c1-14-4-6-16(3)17(10-14)20-12-21-23-27-28-24(30(23)8-9-31(21)29-20)33-13-22(32)26-19-7-5-15(2)11-18(19)25/h4-12H,13H2,1-3H3,(H,26,32)

InChI Key

AAMQYWHTZMEXNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.546

Distribution Coefficient, logD

4.519

Water Solubility, LogSw

-4.50

Polar Surface Area

55.760

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F831-0959 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F831-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0959?
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What is the minimum amount of F831-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0959
  • 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 F831-0959 available by request