F831-1085 Screening compound: N~1~-ethyl-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-phenylacetamide

F831-1085 Screening compound: N~1~-ethyl-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-phenylacetamide
F831-1085 Screening compound: N~1~-ethyl-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-1085
N~1~-ethyl-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-phenylacetamide

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

F831-1085

Molecular Formula

C24H22N6O2S (C24 H22 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(CSc1nnc(c2c3)n1ccn2nc3-c(cc1)ccc1OC)=O)c1ccccc1

InChI

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

InChI Key

NRPSVMBKAQGAHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.74

Polar Surface Area

55.943

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F831-1085 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with F831-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-1085?
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What is the minimum amount of F831-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-1085
  • 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 F831-1085 available by request