F831-1126 Screening compound: 2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-[3-(trifluoromethyl)phenyl]acetamide

F831-1126 Screening compound: 2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-[3-(trifluoromethyl)phenyl]acetamide
F831-1126 Screening compound: 2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F831-1126
2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N~1~-[3-(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

F831-1126

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~-[3-(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-[3-(trifluoromethyl)phenyl]acetamide

SMILES

COc(cc1)ccc1-c1nn(ccn2c(SCC(Nc3cc(C(F)(F)F)ccc3)=O)nnc22)c2c1

InChI

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

InChI Key

QOYYYBXHEQTRLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637660

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

4.246

Distribution Coefficient, logD

4.201

Water Solubility, LogSw

-4.39

Polar Surface Area

64.001

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

F831-1126 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 F831-1126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F831-1126?
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What is the minimum amount of F831-1126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F831-1126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F831-1126
  • 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 F831-1126 available by request