C760-0880 Screening compound: N-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

C760-0880 Screening compound: N-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
C760-0880 Screening compound: N-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0880
N-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

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

C760-0880

Molecular Formula

C17H16F3NOS (C17 H16 F3 NOS)

Compound Name

N-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

N-[3-(trifluoromethyl)phenyl]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

O=C(c1csc2c1CCCCC2)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C17H16F3NOS/c18-17(19,20)11-5-4-6-12(9-11)21-16(22)14-10-23-15-8-3-1-2-7-13(14)15/h4-6,9-10H,1-3,7-8H2,(H,21,22)

InChI Key

YXPNAVHQKCORFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.569

Distribution Coefficient, logD

5.565

Water Solubility, LogSw

-5.83

Polar Surface Area

24.600

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C760-0880 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C760-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0880?
Check Price and Availability of C760-0880, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C760-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0880
  • 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 C760-0880 available by request