D125-0983 Screening compound: N-{[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide

D125-0983 Screening compound: N-{[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide
D125-0983 Screening compound: N-{[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-0983
N-{[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide

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

D125-0983

Molecular Formula

C23H21N3O (C23 H21 N3 O)

Compound Name

N-{[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]methyl}benzamide

IUPAC name

N-{[1-(2-phenylethyl)-1H-13-benzodiazol-2-yl]methyl}benzamide

SMILES

O=C(c1ccccc1)NCc1nc(cccc2)c2n1CCc1ccccc1

InChI

InChI=1S/C23H21N3O/c27-23(19-11-5-2-6-12-19)24-17-22-25-20-13-7-8-14-21(20)26(22)16-15-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,24,27)

InChI Key

ZVOTWZXADFDXJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08163313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.38

Polar Surface Area

35.535

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D125-0983 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D125-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-0983?
Check Price and Availability of D125-0983, 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 D125-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-0983
  • 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 D125-0983 available by request