F831-1125 Screening compound: 2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-[2-(trifluoromethyl)phenyl]acetamide

F831-1125 Screening compound: 2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-[2-(trifluoromethyl)phenyl]acetamide
F831-1125 Screening compound: 2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-1125
2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-[2-(trifluoromethyl)phenyl]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

F831-1125

Molecular Formula

C23H17F3N6O2S (C23 H17 F3 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~-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nn(ccn2c(SCC(Nc3c(C(F)(F)F)cccc3)=O)nnc22)c2c1

InChI

InChI=1S/C23H17F3N6O2S/c1-34-15-8-6-14(7-9-15)18-12-19-21-28-29-22(31(21)10-11-32(19)30-18)35-13-20(33)27-17-5-3-2-4-16(17)23(24,25)26/h2-12H,13H2,1H3,(H,27,33)

InChI Key

SGYHMFGYICLSMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.49

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

3.719

Distribution Coefficient, logD

3.674

Water Solubility, LogSw

-4.03

Polar Surface Area

63.303

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

F831-1125 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F831-1125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-1125?
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What is the minimum amount of F831-1125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-1125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-1125
  • 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 F831-1125 available by request