F831-0679 Screening compound: 2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(4-methoxyphenyl)acetamide

F831-0679 Screening compound: 2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(4-methoxyphenyl)acetamide
F831-0679 Screening compound: 2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-0679
2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(4-methoxyphenyl)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

F831-0679

Molecular Formula

C22H17ClN6O2S (C22 H17 ClN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(CSc1nnc(c2c3)n1ccn2nc3-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H17ClN6O2S/c1-31-17-8-6-16(7-9-17)24-20(30)13-32-22-26-25-21-19-12-18(14-2-4-15(23)5-3-14)27-29(19)11-10-28(21)22/h2-12H,13H2,1H3,(H,24,30)

InChI Key

SLCIESSEYYLZDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

3.728

Water Solubility, LogSw

-4.45

Polar Surface Area

64.001

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

F831-0679 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 F831-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of F831-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0679
  • 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 F831-0679 available by request