F831-0457 Screening compound: N~1~-(3-chlorophenyl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

F831-0457 Screening compound: N~1~-(3-chlorophenyl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
F831-0457 Screening compound: N~1~-(3-chlorophenyl)-2-{[9-(4-methylphenyl)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 F831-0457
N~1~-(3-chlorophenyl)-2-{[9-(4-methylphenyl)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

F831-0457

Molecular Formula

C22H17ClN6OS (C22 H17 ClN6 OS)

Compound Name

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

IUPAC name

N-(3-chlorophenyl)-2-{[11-(4-methylphenyl)-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1-c1nn(ccn2c(SCC(Nc3cccc(Cl)c3)=O)nnc22)c2c1

InChI

InChI=1S/C22H17ClN6OS/c1-14-5-7-15(8-6-14)18-12-19-21-25-26-22(28(21)9-10-29(19)27-18)31-13-20(30)24-17-4-2-3-16(23)11-17/h2-12H,13H2,1H3,(H,24,30)

InChI Key

LTSSSSVMBQYOOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.94

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

4.398

Distribution Coefficient, logD

4.099

Water Solubility, LogSw

-4.47

Polar Surface Area

56.457

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

F831-0457 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F831-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0457?
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What is the minimum amount of F831-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0457
  • 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 F831-0457 available by request