F831-0825 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-{[9-(3,4-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

F831-0825 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-{[9-(3,4-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
F831-0825 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-{[9-(3,4-dimethylphenyl)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 F831-0825
N~1~-(5-chloro-2-methoxyphenyl)-2-{[9-(3,4-dimethylphenyl)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

F831-0825

Molecular Formula

C24H21ClN6O2S (C24 H21 ClN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1-c1nn(ccn2c(SCC(Nc(cc(cc3)Cl)c3OC)=O)nnc22)c2c1

InChI

InChI=1S/C24H21ClN6O2S/c1-14-4-5-16(10-15(14)2)18-12-20-23-27-28-24(30(23)8-9-31(20)29-18)34-13-22(32)26-19-11-17(25)6-7-21(19)33-3/h4-12H,13H2,1-3H3,(H,26,32)

InChI Key

MAIJVIWWVIHJHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.99

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

4.336

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-4.57

Polar Surface Area

63.390

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

7.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F831-0825 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F831-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0825?
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What is the minimum amount of F831-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0825
  • 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 F831-0825 available by request