K781-6557 Screening compound: 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole-5-carboxamide

K781-6557 Screening compound: 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole-5-carboxamide
K781-6557 Screening compound: 1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-6557
1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)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

K781-6557

Molecular Formula

C25H25N3O2 (C25 H25 N3 O2)

Compound Name

1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

1-(4-ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]-1H-13-benzodiazole-5-carboxamide

SMILES

CCOc(cc1)ccc1-n1c(ccc(C(NCc2ccc(C)cc2)=O)c2)c2nc1C

InChI

InChI=1S/C25H25N3O2/c1-4-30-22-12-10-21(11-13-22)28-18(3)27-23-15-20(9-14-24(23)28)25(29)26-16-19-7-5-17(2)6-8-19/h5-15H,4,16H2,1-3H3,(H,26,29)

InChI Key

SRAKRTHWYJJXGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.580

Water Solubility, LogSw

-4.28

Polar Surface Area

43.224

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K781-6557 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 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 K781-6557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-6557?
Check Price and Availability of K781-6557, 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 K781-6557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-6557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-6557
  • 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 K781-6557 available by request