F831-0967 Screening compound: N~1~-cyclopentyl-2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

F831-0967 Screening compound: N~1~-cyclopentyl-2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
F831-0967 Screening compound: N~1~-cyclopentyl-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 F831-0967
N~1~-cyclopentyl-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

F831-0967

Molecular Formula

C22H24N6OS (C22 H24 N6 OS)

Compound Name

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

IUPAC name

N-cyclopentyl-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(NC4CCCC4)=O)nnc33)c3c2)c(C)cc1

InChI

InChI=1S/C22H24N6OS/c1-14-7-8-15(2)17(11-14)18-12-19-21-24-25-22(27(21)9-10-28(19)26-18)30-13-20(29)23-16-5-3-4-6-16/h7-12,16H,3-6,13H2,1-2H3,(H,23,29)

InChI Key

OJSNZJDPNATLFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.54

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

3.263

Distribution Coefficient, logD

3.236

Water Solubility, LogSw

-3.44

Polar Surface Area

57.871

Acid Dissociation Constant (pKa)

16.45

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F831-0967 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F831-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0967?
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What is the minimum amount of F831-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0967
  • 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 F831-0967 available by request