F831-1079 Screening compound: N~1~-(3-ethylphenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide

F831-1079 Screening compound: N~1~-(3-ethylphenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
F831-1079 Screening compound: N~1~-(3-ethylphenyl)-2-{[9-(4-methoxyphenyl)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 F831-1079
N~1~-(3-ethylphenyl)-2-{[9-(4-methoxyphenyl)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

F831-1079

Molecular Formula

C24H22N6O2S (C24 H22 N6 O2 S)

Compound Name

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

IUPAC name

N-(3-ethylphenyl)-2-{[11-(4-methoxyphenyl)-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl]sulfanyl}acetamide

SMILES

CCc1cccc(NC(CSc2nnc(c3c4)n2ccn3nc4-c(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C24H22N6O2S/c1-3-16-5-4-6-18(13-16)25-22(31)15-33-24-27-26-23-21-14-20(28-30(21)12-11-29(23)24)17-7-9-19(32-2)10-8-17/h4-14H,3,15H2,1-2H3,(H,25,31)

InChI Key

ZHKONWYBQDMRCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.994

Distribution Coefficient, logD

3.949

Water Solubility, LogSw

-4.13

Polar Surface Area

64.001

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F831-1079 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 F831-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-1079?
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What is the minimum amount of F831-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-1079
  • 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 F831-1079 available by request