F831-0652 Screening compound: N~1~-cyclohexyl-2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

F831-0652 Screening compound: N~1~-cyclohexyl-2-{[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
F831-0652 Screening compound: N~1~-cyclohexyl-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 F831-0652
N~1~-cyclohexyl-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

F831-0652

Molecular Formula

C21H21FN6OS (C21 H21 FN6 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(c2c3)n1ccn2nc3-c(cc1)ccc1F)NC1CCCCC1

InChI

InChI=1S/C21H21FN6OS/c22-15-8-6-14(7-9-15)17-12-18-20-24-25-21(27(20)10-11-28(18)26-17)30-13-19(29)23-16-4-2-1-3-5-16/h6-12,16H,1-5,13H2,(H,23,29)

InChI Key

OQUNAYAUSBZIRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.146

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-3.38

Polar Surface Area

57.505

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F831-0652 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 F831-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-0652?
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What is the minimum amount of F831-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-0652
  • 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 F831-0652 available by request