C064-0143 Screening compound: N-{2-[3-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide

C064-0143 Screening compound: N-{2-[3-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide
C064-0143 Screening compound: N-{2-[3-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0143
N-{2-[3-({[(4-bromophenyl)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

C064-0143

Molecular Formula

C25H21BrFN3O2S (C25 H21 BrFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1cn(CCNC(c(cc2)ccc2F)=O)c2c1cccc2)Nc(cc1)ccc1Br

InChI

InChI=1S/C25H21BrFN3O2S/c26-18-7-11-20(12-8-18)29-24(31)16-33-23-15-30(22-4-2-1-3-21(22)23)14-13-28-25(32)17-5-9-19(27)10-6-17/h1-12,15H,13-14,16H2,(H,28,32)(H,29,31)

InChI Key

RODIAGNEHZVYPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.954

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.91

Polar Surface Area

49.353

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C064-0143 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 C064-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0143?
Check Price and Availability of C064-0143, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C064-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0143
  • 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 C064-0143 available by request