F831-0646 Screening compound: 2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(2-furylmethyl)acetamide

F831-0646 Screening compound: 2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(2-furylmethyl)acetamide
F831-0646 Screening compound: 2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(2-furylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-0646
2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-(2-furylmethyl)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

F831-0646

Molecular Formula

C20H15FN6O2S (C20 H15 FN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(c2c3)n1ccn2nc3-c(cc1)ccc1F)NCc1ccco1

InChI

InChI=1S/C20H15FN6O2S/c21-14-5-3-13(4-6-14)16-10-17-19-23-24-20(26(19)7-8-27(17)25-16)30-12-18(28)22-11-15-2-1-9-29-15/h1-10H,11-12H2,(H,22,28)

InChI Key

FNEBZHBDIABRRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.44

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

2.682

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-3.02

Polar Surface Area

65.528

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F831-0646 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 F831-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0646?
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What is the minimum amount of F831-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0646
  • 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 F831-0646 available by request