F831-0922 Screening compound: N~1~-(2,5-diethoxyphenyl)-2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

F831-0922 Screening compound: N~1~-(2,5-diethoxyphenyl)-2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
F831-0922 Screening compound: N~1~-(2,5-diethoxyphenyl)-2-{[9-(2,5-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 F831-0922
N~1~-(2,5-diethoxyphenyl)-2-{[9-(2,5-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

F831-0922

Molecular Formula

C27H28N6O3S (C27 H28 N6 O3 S)

Compound Name

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

IUPAC name

N-(25-diethoxyphenyl)-2-{[11-(25-dimethylphenyl)-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)cc(NC(CSc2nnc(c3c4)n2ccn3nc4-c2c(C)ccc(C)c2)=O)c1OCC

InChI

InChI=1S/C27H28N6O3S/c1-5-35-19-9-10-24(36-6-2)22(14-19)28-25(34)16-37-27-30-29-26-23-15-21(31-33(23)12-11-32(26)27)20-13-17(3)7-8-18(20)4/h7-15H,5-6,16H2,1-4H3,(H,28,34)

InChI Key

UORBEVQLUPZSAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.26

Polar Surface Area

70.093

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

F831-0922 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 F831-0922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0922?
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What is the minimum amount of F831-0922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0922
  • 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 F831-0922 available by request