C064-0359 Screening compound: N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide

C064-0359 Screening compound: N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide
C064-0359 Screening compound: N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0359
N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]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

C064-0359

Molecular Formula

C25H27F2N3O2S (C25 H27 F2 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1cn(CCNC(c(c(F)ccc2)c2F)=O)c2c1cccc2)N1CCCCCC1

InChI

InChI=1S/C25H27F2N3O2S/c26-19-9-7-10-20(27)24(19)25(32)28-12-15-30-16-22(18-8-3-4-11-21(18)30)33-17-23(31)29-13-5-1-2-6-14-29/h3-4,7-11,16H,1-2,5-6,12-15,17H2,(H,28,32)

InChI Key

COZSKCMWLZFMLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.18

Polar Surface Area

42.927

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C064-0359 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C064-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0359?
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What is the minimum amount of C064-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0359
  • 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 C064-0359 available by request