K894-0406 Screening compound: 1-[4-(benzyloxy)phenyl]-N-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxamide

K894-0406 Screening compound: 1-[4-(benzyloxy)phenyl]-N-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxamide
K894-0406 Screening compound: 1-[4-(benzyloxy)phenyl]-N-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K894-0406
1-[4-(benzyloxy)phenyl]-N-[(furan-2-yl)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

K894-0406

Molecular Formula

C26H21N3O3 (C26 H21 N3 O3)

Compound Name

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

IUPAC name

1-[4-(benzyloxy)phenyl]-N-[(furan-2-yl)methyl]-1H-13-benzodiazole-5-carboxamide

SMILES

O=C(c(cc1)cc(nc2)c1n2-c(cc1)ccc1OCc1ccccc1)NCc1ccco1

InChI

InChI=1S/C26H21N3O3/c30-26(27-16-23-7-4-14-31-23)20-8-13-25-24(15-20)28-18-29(25)21-9-11-22(12-10-21)32-17-19-5-2-1-3-6-19/h1-15,18H,16-17H2,(H,27,30)

InChI Key

ZNCBPQFVDVWFSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-5.11

Polar Surface Area

50.272

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

K894-0406 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K894-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K894-0406?
Check Price and Availability of K894-0406, 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 K894-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K894-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K894-0406
  • 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 K894-0406 available by request