F831-0655 Screening compound: N~1~-butyl-2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

F831-0655 Screening compound: N~1~-butyl-2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
F831-0655 Screening compound: N~1~-butyl-2-{[9-(4-fluorophenyl)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 F831-0655
N~1~-butyl-2-{[9-(4-fluorophenyl)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

F831-0655

Molecular Formula

C19H19FN6OS (C19 H19 FN6 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(CSc1nnc(c2c3)n1ccn2nc3-c(cc1)ccc1F)=O

InChI

InChI=1S/C19H19FN6OS/c1-2-3-8-21-17(27)12-28-19-23-22-18-16-11-15(13-4-6-14(20)7-5-13)24-26(16)10-9-25(18)19/h4-7,9-11H,2-3,8,12H2,1H3,(H,21,27)

InChI Key

BGKAITRPVRTQSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.562

Water Solubility, LogSw

-2.96

Polar Surface Area

57.893

Acid Dissociation Constant (pKa)

15.16

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F831-0655 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 F831-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0655?
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What is the minimum amount of F831-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0655
  • 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 F831-0655 available by request