5307-0074 Screening compound: N-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}cyclohexanecarboxamide

5307-0074 Screening compound: N-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}cyclohexanecarboxamide
5307-0074 Screening compound: N-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5307-0074
N-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}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

5307-0074

Molecular Formula

C21H22ClN3O (C21 H22 ClN3 O)

Compound Name

N-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}cyclohexanecarboxamide

IUPAC name

N-{1-[(2-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc1nc(cccc2)c2n1Cc(cccc1)c1Cl

InChI

InChI=1S/C21H22ClN3O/c22-17-11-5-4-10-16(17)14-25-19-13-7-6-12-18(19)23-21(25)24-20(26)15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9,14H2,(H,23,24,26)

InChI Key

GKVQDULCRHASKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03680753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.437

Distribution Coefficient, logD

5.437

Water Solubility, LogSw

-5.88

Polar Surface Area

35.358

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5307-0074 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5307-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5307-0074?
Check Price and Availability of 5307-0074, 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 5307-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5307-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5307-0074
  • 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 5307-0074 available by request