F831-0449 Screening compound: 2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-phenylacetamide

F831-0449 Screening compound: 2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-phenylacetamide
F831-0449 Screening compound: 2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-0449
2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-phenylacetamide

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

F831-0449

Molecular Formula

C22H18N6OS (C22 H18 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1nn(ccn2c(SCC(Nc3ccccc3)=O)nnc22)c2c1

InChI

InChI=1S/C22H18N6OS/c1-15-7-9-16(10-8-15)18-13-19-21-24-25-22(27(21)11-12-28(19)26-18)30-14-20(29)23-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,23,29)

InChI Key

AVMFGBZSAGMRDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.49

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

3.452

Distribution Coefficient, logD

3.154

Water Solubility, LogSw

-3.79

Polar Surface Area

56.457

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

F831-0449 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 F831-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0449?
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What is the minimum amount of F831-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0449
  • 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 F831-0449 available by request