7491-0137 Screening compound: 2-chloro-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide

7491-0137 Screening compound: 2-chloro-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide
7491-0137 Screening compound: 2-chloro-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7491-0137
2-chloro-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}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

7491-0137

Molecular Formula

C21H23ClN4O (C21 H23 ClN4 O)

Compound Name

2-chloro-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide

IUPAC name

2-chloro-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}benzamide

SMILES

Cn1c(ccc(NC(c(cccc2)c2Cl)=O)c2)c2nc1CN1CCCCC1

InChI

InChI=1S/C21H23ClN4O/c1-25-19-10-9-15(23-21(27)16-7-3-4-8-17(16)22)13-18(19)24-20(25)14-26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,27)

InChI Key

NKNZOUPSBBNCQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-4.04

Polar Surface Area

39.049

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

7491-0137 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7491-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7491-0137?
Check Price and Availability of 7491-0137, 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 7491-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7491-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7491-0137
  • 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 7491-0137 available by request