F831-0714 Screening compound: 2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(3,4-dimethylphenyl)acetamide

F831-0714 Screening compound: 2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(3,4-dimethylphenyl)acetamide
F831-0714 Screening compound: 2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(3,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-0714
2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(3,4-dimethylphenyl)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

F831-0714

Molecular Formula

C23H19ClN6OS (C23 H19 ClN6 OS)

Compound Name

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

IUPAC name

2-{[11-(4-chlorophenyl)-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl]sulfanyl}-N-(34-dimethylphenyl)acetamide

SMILES

Cc(cc1)c(C)cc1NC(CSc1nnc(c2c3)n1ccn2nc3-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H19ClN6OS/c1-14-3-8-18(11-15(14)2)25-21(31)13-32-23-27-26-22-20-12-19(16-4-6-17(24)7-5-16)28-30(20)10-9-29(22)23/h3-12H,13H2,1-2H3,(H,25,31)

InChI Key

LKTSKAHCCLCJBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.96

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

4.803

Distribution Coefficient, logD

4.733

Water Solubility, LogSw

-4.84

Polar Surface Area

56.457

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

F831-0714 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 F831-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0714?
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What is the minimum amount of F831-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0714
  • 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 F831-0714 available by request