8011-4779 Screening compound: N~1~-(4-bromophenyl)-1-[(4-hydroxybenzoyl)amino]-1-cyclohexanecarboxamide

8011-4779 Screening compound: N~1~-(4-bromophenyl)-1-[(4-hydroxybenzoyl)amino]-1-cyclohexanecarboxamide
8011-4779 Screening compound: N~1~-(4-bromophenyl)-1-[(4-hydroxybenzoyl)amino]-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4779
N~1~-(4-bromophenyl)-1-[(4-hydroxybenzoyl)amino]-1-cyclohexanecarboxamide

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

8011-4779

Molecular Formula

C20H21BrN2O3 (C20 H21 BrN2 O3)

Compound Name

N~1~-(4-bromophenyl)-1-[(4-hydroxybenzoyl)amino]-1-cyclohexanecarboxamide

IUPAC name

N-{1-[(4-bromophenyl)carbamoyl]cyclohexyl}-4-hydroxybenzamide

SMILES

Oc(cc1)ccc1C(NC1(CCCCC1)C(Nc(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C20H21BrN2O3/c21-15-6-8-16(9-7-15)22-19(26)20(12-2-1-3-13-20)23-18(25)14-4-10-17(24)11-5-14/h4-11,24H,1-3,12-13H2,(H,22,26)(H,23,25)

InChI Key

HPDANVKQMIMQQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.114

Distribution Coefficient, logD

4.087

Water Solubility, LogSw

-4.22

Polar Surface Area

65.124

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8011-4779 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Carbonic Anhydrase II Library (4939 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 8011-4779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4779?
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What is the minimum amount of 8011-4779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4779
  • 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 8011-4779 available by request