K894-0412 Screening compound: 1-[4-(benzyloxy)phenyl]-N-(2,2-diethoxyethyl)-1H-1,3-benzodiazole-5-carboxamide

K894-0412 Screening compound: 1-[4-(benzyloxy)phenyl]-N-(2,2-diethoxyethyl)-1H-1,3-benzodiazole-5-carboxamide
K894-0412 Screening compound: 1-[4-(benzyloxy)phenyl]-N-(2,2-diethoxyethyl)-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K894-0412
1-[4-(benzyloxy)phenyl]-N-(2,2-diethoxyethyl)-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

K894-0412

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

1-[4-(benzyloxy)phenyl]-N-(2,2-diethoxyethyl)-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

1-[4-(benzyloxy)phenyl]-N-(22-diethoxyethyl)-1H-13-benzodiazole-5-carboxamide

SMILES

CCOC(CNC(c(cc1)cc(nc2)c1n2-c(cc1)ccc1OCc1ccccc1)=O)OCC

InChI

InChI=1S/C27H29N3O4/c1-3-32-26(33-4-2)17-28-27(31)21-10-15-25-24(16-21)29-19-30(25)22-11-13-23(14-12-22)34-18-20-8-6-5-7-9-20/h5-16,19,26H,3-4,17-18H2,1-2H3,(H,28,31)

InChI Key

ZRXRBJGXJDAONC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.13

Polar Surface Area

57.449

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K894-0412 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K894-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K894-0412?
Check Price and Availability of K894-0412, 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 K894-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K894-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K894-0412
  • 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 K894-0412 available by request