2513-2109 Screening compound: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]cyclohexanecarboxamide

2513-2109 Screening compound: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]cyclohexanecarboxamide
2513-2109 Screening compound: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-2109
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]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

2513-2109

Molecular Formula

C20H19BrClNO2 (C20 H19 BrClNO2)

Compound Name

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]cyclohexanecarboxamide

IUPAC name

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc(ccc(Br)c1)c1C(c(cccc1)c1Cl)=O

InChI

InChI=1S/C20H19BrClNO2/c21-14-10-11-18(23-20(25)13-6-2-1-3-7-13)16(12-14)19(24)15-8-4-5-9-17(15)22/h4-5,8-13H,1-3,6-7H2,(H,23,25)

InChI Key

DXKVZMLDIAEINQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.976

Distribution Coefficient, logD

5.809

Water Solubility, LogSw

-6.06

Polar Surface Area

36.291

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

2513-2109 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GABA Library (7115 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 2513-2109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-2109?
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What is the minimum amount of 2513-2109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-2109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-2109
  • 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 2513-2109 available by request