C064-0011 Screening compound: N-[2-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide

C064-0011 Screening compound: N-[2-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide
C064-0011 Screening compound: N-[2-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0011
N-[2-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide

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

C064-0011

Molecular Formula

C25H22ClFN2O2S (C25 H22 ClFN2 O2 S)

Compound Name

N-[2-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide

IUPAC name

N-[2-(3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NCCn1c(cccc2)c2c(SCc(c(F)ccc2)c2Cl)c1)=O

InChI

InChI=1S/C25H22ClFN2O2S/c1-31-18-11-9-17(10-12-18)25(30)28-13-14-29-15-24(19-5-2-3-8-23(19)29)32-16-20-21(26)6-4-7-22(20)27/h2-12,15H,13-14,16H2,1H3,(H,28,30)

InChI Key

JKRCEJOZKCXEJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.424

Distribution Coefficient, logD

5.424

Water Solubility, LogSw

-5.96

Polar Surface Area

33.748

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C064-0011 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C064-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0011?
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What is the minimum amount of C064-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0011
  • 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 C064-0011 available by request