C064-0026 Screening compound: N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-methoxybenzamide

C064-0026 Screening compound: N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-methoxybenzamide
C064-0026 Screening compound: N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0026
N-{2-[3-({[(4-fluorophenyl)carbamoyl]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

C064-0026

Molecular Formula

C26H24FN3O3S (C26 H24 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(NCCn1c(cccc2)c2c(SCC(Nc(cc2)ccc2F)=O)c1)=O

InChI

InChI=1S/C26H24FN3O3S/c1-33-21-12-6-18(7-13-21)26(32)28-14-15-30-16-24(22-4-2-3-5-23(22)30)34-17-25(31)29-20-10-8-19(27)9-11-20/h2-13,16H,14-15,17H2,1H3,(H,28,32)(H,29,31)

InChI Key

BHWHKNBYNULMTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.01

Polar Surface Area

56.897

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C064-0026 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C064-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0026?
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What is the minimum amount of C064-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0026
  • 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 C064-0026 available by request