K894-0887 Screening compound: 1-(4-bromophenyl)-N-(2-methoxyethyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide

K894-0887 Screening compound: 1-(4-bromophenyl)-N-(2-methoxyethyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide
K894-0887 Screening compound: 1-(4-bromophenyl)-N-(2-methoxyethyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K894-0887
1-(4-bromophenyl)-N-(2-methoxyethyl)-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

K894-0887

Molecular Formula

C18H18BrN3O2 (C18 H18 BrN3 O2)

Compound Name

1-(4-bromophenyl)-N-(2-methoxyethyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

1-(4-bromophenyl)-N-(2-methoxyethyl)-2-methyl-1H-13-benzodiazole-5-carboxamide

SMILES

Cc1nc(cc(cc2)C(NCCOC)=O)c2n1-c(cc1)ccc1Br

InChI

InChI=1S/C18H18BrN3O2/c1-12-21-16-11-13(18(23)20-9-10-24-2)3-8-17(16)22(12)15-6-4-14(19)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,20,23)

InChI Key

RTTUWKSDYYENBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.26

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

3.125

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.30

Polar Surface Area

44.556

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K894-0887 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 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 K894-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K894-0887?
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What is the minimum amount of K894-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K894-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K894-0887
  • 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 K894-0887 available by request