F831-1084 Screening compound: 2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-methyl-N~1~-phenylacetamide

F831-1084 Screening compound: 2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-methyl-N~1~-phenylacetamide
F831-1084 Screening compound: 2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-methyl-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-1084
2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-methyl-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

F831-1084

Molecular Formula

C23H20N6O2S (C23 H20 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H20N6O2S/c1-27(17-6-4-3-5-7-17)21(30)15-32-23-25-24-22-20-14-19(26-29(20)13-12-28(22)23)16-8-10-18(31-2)11-9-16/h3-14H,15H2,1-2H3

InChI Key

UGERLDPTCQVSNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.645

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-3.08

Polar Surface Area

55.965

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

F831-1084 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F831-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-1084?
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What is the minimum amount of F831-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-1084
  • 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 F831-1084 available by request