C800-0863 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide

C800-0863 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide
C800-0863 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0863
N-[2-(4-chlorophenyl)ethyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide

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

C800-0863

Molecular Formula

C27H27ClN2O (C27 H27 ClN2 O)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-23-dimethyl-1-[(3-methylphenyl)methyl]-1H-indole-5-carboxamide

SMILES

Cc1c(C)n(Cc2cc(C)ccc2)c(cc2)c1cc2C(NCCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C27H27ClN2O/c1-18-5-4-6-22(15-18)17-30-20(3)19(2)25-16-23(9-12-26(25)30)27(31)29-14-13-21-7-10-24(28)11-8-21/h4-12,15-16H,13-14,17H2,1-3H3,(H,29,31)

InChI Key

XFNSPTJDUYXNCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.98

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.428

Distribution Coefficient, logD

6.428

Water Solubility, LogSw

-6.32

Polar Surface Area

25.694

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C800-0863 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C800-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0863?
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What is the minimum amount of C800-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0863
  • 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 C800-0863 available by request