F831-1051 Screening compound: 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(4-fluorophenyl)-N~1~-methylacetamide

F831-1051 Screening compound: 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(4-fluorophenyl)-N~1~-methylacetamide
F831-1051 Screening compound: 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(4-fluorophenyl)-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-1051
2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(4-fluorophenyl)-N~1~-methylacetamide

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

F831-1051

Molecular Formula

C26H25FN6O2S (C26 H25 FN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1-c1nn(ccn2c(SCC(N(C)c(cc3)ccc3F)=O)nnc22)c2c1

InChI

InChI=1S/C26H25FN6O2S/c1-3-4-15-35-21-11-5-18(6-12-21)22-16-23-25-28-29-26(32(25)13-14-33(23)30-22)36-17-24(34)31(2)20-9-7-19(27)8-10-20/h5-14,16H,3-4,15,17H2,1-2H3

InChI Key

DZHKYWCRJKUPAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.15

Polar Surface Area

55.839

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F831-1051 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F831-1051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-1051?
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What is the minimum amount of F831-1051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-1051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-1051
  • 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 F831-1051 available by request