F831-0041 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamide

F831-0041 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamide
F831-0041 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-0041
N~1~-(5-chloro-2-methoxyphenyl)-2-[(9-phenylpyrazolo[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

F831-0041

Molecular Formula

C22H17ClN6O2S (C22 H17 ClN6 O2 S)

Compound Name

N~1~-(5-chloro-2-methoxyphenyl)-2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamide

IUPAC name

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

SMILES

COc(ccc(Cl)c1)c1NC(CSc1nnc(c2c3)n1ccn2nc3-c1ccccc1)=O

InChI

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

InChI Key

POIGGOKPVJPDKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637607

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

3.369

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.87

Polar Surface Area

63.390

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

F831-0041 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with F831-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0041?
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What is the minimum amount of F831-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0041
  • 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 F831-0041 available by request