K786-5769 Screening compound: 5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]furan-2-carboxamide

K786-5769 Screening compound: 5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]furan-2-carboxamide
K786-5769 Screening compound: 5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5769
5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]furan-2-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

K786-5769

Molecular Formula

C21H24ClNO2S (C21 H24 ClNO2 S)

Compound Name

5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]furan-2-carboxamide

IUPAC name

5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]furan-2-carboxamide

SMILES

O=C(c1ccc(CSCc(cccc2)c2Cl)o1)NCCC1=CCCCC1

InChI

InChI=1S/C21H24ClNO2S/c22-19-9-5-4-8-17(19)14-26-15-18-10-11-20(25-18)21(24)23-13-12-16-6-2-1-3-7-16/h4-6,8-11H,1-3,7,12-15H2,(H,23,24)

InChI Key

PBEZFGXWLQLGSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.514

Distribution Coefficient, logD

5.514

Water Solubility, LogSw

-5.86

Polar Surface Area

32.255

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

K786-5769 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 K786-5769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5769?
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What is the minimum amount of K786-5769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5769
  • 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 K786-5769 available by request