K894-0413 Screening compound: 1-[4-(benzyloxy)phenyl]-N-(3-ethoxypropyl)-1H-1,3-benzodiazole-5-carboxamide

K894-0413 Screening compound: 1-[4-(benzyloxy)phenyl]-N-(3-ethoxypropyl)-1H-1,3-benzodiazole-5-carboxamide
K894-0413 Screening compound: 1-[4-(benzyloxy)phenyl]-N-(3-ethoxypropyl)-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K894-0413
1-[4-(benzyloxy)phenyl]-N-(3-ethoxypropyl)-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

K894-0413

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

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

IUPAC name

1-[4-(benzyloxy)phenyl]-N-(3-ethoxypropyl)-1H-13-benzodiazole-5-carboxamide

SMILES

CCOCCCNC(c(cc1)cc(nc2)c1n2-c(cc1)ccc1OCc1ccccc1)=O

InChI

InChI=1S/C26H27N3O3/c1-2-31-16-6-15-27-26(30)21-9-14-25-24(17-21)28-19-29(25)22-10-12-23(13-11-22)32-18-20-7-4-3-5-8-20/h3-5,7-14,17,19H,2,6,15-16,18H2,1H3,(H,27,30)

InChI Key

PKOBWRFSSYZQOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04422275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.071

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-4.21

Polar Surface Area

50.614

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K894-0413 in Drug Discovery

Included in Screening Libraries

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 K894-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K894-0413?
Check Price and Availability of K894-0413, 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 K894-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K894-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K894-0413
  • 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 K894-0413 available by request