C064-0020 Screening compound: N-[2-(3-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide

C064-0020 Screening compound: N-[2-(3-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide
C064-0020 Screening compound: N-[2-(3-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0020
N-[2-(3-{[(cyclohexylcarbamoyl)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

C064-0020

Molecular Formula

C26H31N3O3S (C26 H31 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(NCCn1c(cccc2)c2c(SCC(NC2CCCCC2)=O)c1)=O

InChI

InChI=1S/C26H31N3O3S/c1-32-21-13-11-19(12-14-21)26(31)27-15-16-29-17-24(22-9-5-6-10-23(22)29)33-18-25(30)28-20-7-3-2-4-8-20/h5-6,9-14,17,20H,2-4,7-8,15-16,18H2,1H3,(H,27,31)(H,28,30)

InChI Key

RTXWDALDSABTPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

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

3.969

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-3.86

Polar Surface Area

57.944

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C064-0020 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C064-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0020?
Check Price and Availability of C064-0020, 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 C064-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0020
  • 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 C064-0020 available by request