C064-0362 Screening compound: N-[2-(3-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide

C064-0362 Screening compound: N-[2-(3-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide
C064-0362 Screening compound: N-[2-(3-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0362
N-[2-(3-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide

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

C064-0362

Molecular Formula

C25H27F2N3O2S (C25 H27 F2 N3 O2 S)

Compound Name

N-[2-(3-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide

IUPAC name

N-[2-(3-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-26-difluorobenzamide

SMILES

O=C(CSc1cn(CCNC(c(c(F)ccc2)c2F)=O)c2c1cccc2)NC1CCCCC1

InChI

InChI=1S/C25H27F2N3O2S/c26-19-10-6-11-20(27)24(19)25(32)28-13-14-30-15-22(18-9-4-5-12-21(18)30)33-16-23(31)29-17-7-2-1-3-8-17/h4-6,9-12,15,17H,1-3,7-8,13-14,16H2,(H,28,32)(H,29,31)

InChI Key

ZDYBNKQVOBMOMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.154

Distribution Coefficient, logD

4.154

Water Solubility, LogSw

-4.19

Polar Surface Area

50.401

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C064-0362 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C064-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0362?
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What is the minimum amount of C064-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0362
  • 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 C064-0362 available by request