C760-0991 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

C760-0991 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
C760-0991 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0991
N-[2-(cyclohex-1-en-1-yl)ethyl]-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

C760-0991

Molecular Formula

C18H25NOS (C18 H25 NOS)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

O=C(c1csc2c1CCCCC2)NCCC1=CCCCC1

InChI

InChI=1S/C18H25NOS/c20-18(19-12-11-14-7-3-1-4-8-14)16-13-21-17-10-6-2-5-9-15(16)17/h7,13H,1-6,8-12H2,(H,19,20)

InChI Key

OBNABHDUYIUPGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-4.56

Polar Surface Area

25.955

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

C760-0991 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C760-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0991?
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What is the minimum amount of C760-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0991
  • 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 C760-0991 available by request