C064-0153 Screening compound: N-(2-{3-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide

C064-0153 Screening compound: N-(2-{3-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide
C064-0153 Screening compound: N-(2-{3-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0153
N-(2-{3-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide

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

C064-0153

Molecular Formula

C26H20ClF4N3O2S (C26 H20 ClF4 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1cn(CCNC(c(cc2)ccc2F)=O)c2c1cccc2)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C26H20ClF4N3O2S/c27-20-10-7-17(26(29,30)31)13-21(20)33-24(35)15-37-23-14-34(22-4-2-1-3-19(22)23)12-11-32-25(36)16-5-8-18(28)9-6-16/h1-10,13-14H,11-12,15H2,(H,32,36)(H,33,35)

InChI Key

UWCBOJXHTVKEMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.345

Distribution Coefficient, logD

5.301

Water Solubility, LogSw

-6.10

Polar Surface Area

48.655

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C064-0153 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C064-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0153?
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What is the minimum amount of C064-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0153
  • 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 C064-0153 available by request