C064-0495 Screening compound: N-(2-{3-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide

C064-0495 Screening compound: N-(2-{3-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide
C064-0495 Screening compound: N-(2-{3-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0495
N-(2-{3-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide

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

C064-0495

Molecular Formula

C28H25ClF3N3O4S (C28 H25 ClF3 N3 O4 S)

Compound Name

N-(2-{3-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide

IUPAC name

N-(2-{3-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-34-dimethoxybenzamide

SMILES

COc(ccc(C(NCCn1c(cccc2)c2c(SCC(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)c1)=O)c1)c1OC

InChI

InChI=1S/C28H25ClF3N3O4S/c1-38-23-10-7-17(13-24(23)39-2)27(37)33-11-12-35-15-25(19-5-3-4-6-22(19)35)40-16-26(36)34-21-14-18(28(30,31)32)8-9-20(21)29/h3-10,13-15H,11-12,16H2,1-2H3,(H,33,37)(H,34,36)

InChI Key

WJALTZSLJDQJGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.940

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-5.13

Polar Surface Area

63.916

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C064-0495 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C064-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0495?
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What is the minimum amount of C064-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0495
  • 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 C064-0495 available by request