8015-7261 Screening compound: 2-({6-methyl-3-oxo-1H,3H-furo[3,4-c]pyridin-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

8015-7261 Screening compound: 2-({6-methyl-3-oxo-1H,3H-furo[3,4-c]pyridin-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
8015-7261 Screening compound: 2-({6-methyl-3-oxo-1H,3H-furo[3,4-c]pyridin-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7261
2-({6-methyl-3-oxo-1H,3H-furo[3,4-c]pyridin-4-yl}sulfanyl)-N-[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

8015-7261

Molecular Formula

C17H13F3N2O3S (C17 H13 F3 N2 O3 S)

Compound Name

2-({6-methyl-3-oxo-1H,3H-furo[3,4-c]pyridin-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-({6-methyl-3-oxo-1H3H-furo[34-c]pyridin-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

Cc1cc(COC2=O)c2c(SCC(Nc2cc(C(F)(F)F)ccc2)=O)n1

InChI

InChI=1S/C17H13F3N2O3S/c1-9-5-10-7-25-16(24)14(10)15(21-9)26-8-13(23)22-12-4-2-3-11(6-12)17(18,19)20/h2-6H,7-8H2,1H3,(H,22,23)

InChI Key

PNQLWLGCOFGYBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.83

Polar Surface Area

54.242

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8015-7261 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-7261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7261?
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What is the minimum amount of 8015-7261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7261
  • 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 8015-7261 available by request