F831-1067 Screening compound: 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(1-pyrrolidinyl)-1-ethanone

F831-1067 Screening compound: 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(1-pyrrolidinyl)-1-ethanone
F831-1067 Screening compound: 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(1-pyrrolidinyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-1067
2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(1-pyrrolidinyl)-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

F831-1067

Molecular Formula

C23H26N6O2S (C23 H26 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1-c1nn(ccn2c(SCC(N3CCCC3)=O)nnc22)c2c1

InChI

InChI=1S/C23H26N6O2S/c1-2-3-14-31-18-8-6-17(7-9-18)19-15-20-22-24-25-23(28(22)12-13-29(20)26-19)32-16-21(30)27-10-4-5-11-27/h6-9,12-13,15H,2-5,10-11,14,16H2,1H3

InChI Key

BVYUIDJPYRXKBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.697

Distribution Coefficient, logD

3.652

Water Solubility, LogSw

-3.77

Polar Surface Area

57.484

Acid Dissociation Constant (pKa)

19.52

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

F831-1067 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 F831-1067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-1067?
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What is the minimum amount of F831-1067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-1067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-1067
  • 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 F831-1067 available by request