K894-0875 Screening compound: N-cyclopentyl-1-(4-ethoxyphenyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide

K894-0875 Screening compound: N-cyclopentyl-1-(4-ethoxyphenyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide
K894-0875 Screening compound: N-cyclopentyl-1-(4-ethoxyphenyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K894-0875
N-cyclopentyl-1-(4-ethoxyphenyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide

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

K894-0875

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

N-cyclopentyl-1-(4-ethoxyphenyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

N-cyclopentyl-1-(4-ethoxyphenyl)-2-methyl-1H-13-benzodiazole-5-carboxamide

SMILES

CCOc(cc1)ccc1-n1c(ccc(C(NC2CCCC2)=O)c2)c2nc1C

InChI

InChI=1S/C22H25N3O2/c1-3-27-19-11-9-18(10-12-19)25-15(2)23-20-14-16(8-13-21(20)25)22(26)24-17-6-4-5-7-17/h8-14,17H,3-7H2,1-2H3,(H,24,26)

InChI Key

LSBDBYFOLODDNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.045

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-4.05

Polar Surface Area

43.316

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

K894-0875 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K894-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K894-0875?
Check Price and Availability of K894-0875, 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 K894-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K894-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K894-0875
  • 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 K894-0875 available by request