6228-1539 Screening compound: 3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide

6228-1539 Screening compound: 3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide
6228-1539 Screening compound: 3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1539
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide

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

6228-1539

Molecular Formula

C17H20ClN3O (C17 H20 ClN3 O)

Compound Name

3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide

IUPAC name

3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide

SMILES

O=C(c1cccc(Cn2ncc(Cl)c2)c1)NC1CCCCC1

InChI

InChI=1S/C17H20ClN3O/c18-15-10-19-21(12-15)11-13-5-4-6-14(9-13)17(22)20-16-7-2-1-3-8-16/h4-6,9-10,12,16H,1-3,7-8,11H2,(H,20,22)

InChI Key

VXPJSAPZHHABMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01919580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.82

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

3.303

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.79

Polar Surface Area

38.883

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

6228-1539 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6228-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1539?
Check Price and Availability of 6228-1539, 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 6228-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1539
  • 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 6228-1539 available by request