8012-9327 Screening compound: N-{1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl}-4-hydroxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

8012-9327 Screening compound: N-{1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl}-4-hydroxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
8012-9327 Screening compound: N-{1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl}-4-hydroxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9327
N-{1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl}-4-hydroxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

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

8012-9327

Molecular Formula

C33H37N3O3 (C33 H37 N3 O3)

Compound Name

N-{1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl}-4-hydroxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

IUPAC name

N-{1-[(26-dimethylphenyl)carbamoyl]cyclohexyl}-4-hydroxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

SMILES

Cc1c(CCN(C2(CCCCC2)C(Nc2c(C)cccc2C)=O)C(c(cc2)ccc2O)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C33H37N3O3/c1-22-10-9-11-23(2)30(22)35-32(39)33(19-7-4-8-20-33)36(31(38)25-14-16-26(37)17-15-25)21-18-27-24(3)34-29-13-6-5-12-28(27)29/h5-6,9-17,34,37H,4,7-8,18-21H2,1-3H3,(H,35,39)

InChI Key

JBARPEQAMBHKNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.016

Distribution Coefficient, logD

5.990

Water Solubility, LogSw

-5.31

Polar Surface Area

64.623

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8012-9327 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8012-9327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9327?
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What is the minimum amount of 8012-9327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9327
  • 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 8012-9327 available by request