K894-0721 Screening compound: 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-1H-1,3-benzodiazole-5-carboxamide

K894-0721 Screening compound: 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-1H-1,3-benzodiazole-5-carboxamide
K894-0721 Screening compound: 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K894-0721
1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-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

K894-0721

Molecular Formula

C18H17F2N3O3 (C18 H17 F2 N3 O3)

Compound Name

1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

1-(34-difluorophenyl)-N-(22-dimethoxyethyl)-1H-13-benzodiazole-5-carboxamide

SMILES

COC(CNC(c(cc1)cc(nc2)c1n2-c(cc1)cc(F)c1F)=O)OC

InChI

InChI=1S/C18H17F2N3O3/c1-25-17(26-2)9-21-18(24)11-3-6-16-15(7-11)22-10-23(16)12-4-5-13(19)14(20)8-12/h3-8,10,17H,9H2,1-2H3,(H,21,24)

InChI Key

JAAOUOOYFRDOOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.047

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-2.82

Polar Surface Area

51.062

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K894-0721 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with K894-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K894-0721?
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What is the minimum amount of K894-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K894-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K894-0721
  • 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 K894-0721 available by request