F831-0661 Screening compound: 2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-piperidino-1-ethanone

F831-0661 Screening compound: 2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-piperidino-1-ethanone
F831-0661 Screening compound: 2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-piperidino-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-0661
2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-piperidino-1-ethanone

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

F831-0661

Molecular Formula

C20H19FN6OS (C20 H19 FN6 OS)

Compound Name

2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-piperidino-1-ethanone

IUPAC name

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

SMILES

O=C(CSc1nnc(c2c3)n1ccn2nc3-c(cc1)ccc1F)N1CCCCC1

InChI

InChI=1S/C20H19FN6OS/c21-15-6-4-14(5-7-15)16-12-17-19-22-23-20(26(19)10-11-27(17)24-16)29-13-18(28)25-8-2-1-3-9-25/h4-7,10-12H,1-3,8-9,13H2

InChI Key

DPJQERWVPKRYTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.513

Distribution Coefficient, logD

2.490

Water Solubility, LogSw

-2.68

Polar Surface Area

49.701

Acid Dissociation Constant (pKa)

19.52

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F831-0661 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 F831-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0661?
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What is the minimum amount of F831-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0661
  • 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 F831-0661 available by request