1682-9509 Screening compound: 2-(1H-1,3-BENZODIAZOL-2-YL)-N-(2-PHENYLETHYL)BENZAMIDE

1682-9509 Screening compound: 2-(1H-1,3-BENZODIAZOL-2-YL)-N-(2-PHENYLETHYL)BENZAMIDE
1682-9509 Screening compound: 2-(1H-1,3-BENZODIAZOL-2-YL)-N-(2-PHENYLETHYL)BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-9509
2-(1H-1,3-BENZODIAZOL-2-YL)-N-(2-PHENYLETHYL)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

1682-9509

Molecular Formula

C22H19N3O (C22 H19 N3 O)

Compound Name

2-(1H-1,3-BENZODIAZOL-2-YL)-N-(2-PHENYLETHYL)BENZAMIDE

IUPAC name

2-(1H-13-benzodiazol-2-yl)-N-(2-phenylethyl)benzamide

SMILES

O=C(c(cccc1)c1-c1nc(cccc2)c2[nH]1)NCCc1ccccc1

InChI

InChI=1S/C22H19N3O/c26-22(23-15-14-16-8-2-1-3-9-16)18-11-5-4-10-17(18)21-24-19-12-6-7-13-20(19)25-21/h1-13H,14-15H2,(H,23,26)(H,24,25)

InChI Key

BPVQGXYOSGRJQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00710816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

3.854

Water Solubility, LogSw

-4.28

Polar Surface Area

43.513

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1682-9509 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • 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 1682-9509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-9509?
Check Price and Availability of 1682-9509, 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 1682-9509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-9509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-9509
  • 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 1682-9509 available by request