D011-5226 Screening compound: N-[1-(1-benzyl-1H-1,3-benzodiazol-2-yl)ethyl]-4-chlorobenzamide

D011-5226 Screening compound: N-[1-(1-benzyl-1H-1,3-benzodiazol-2-yl)ethyl]-4-chlorobenzamide
D011-5226 Screening compound: N-[1-(1-benzyl-1H-1,3-benzodiazol-2-yl)ethyl]-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-5226
N-[1-(1-benzyl-1H-1,3-benzodiazol-2-yl)ethyl]-4-chlorobenzamide

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

D011-5226

Molecular Formula

C23H20ClN3O (C23 H20 ClN3 O)

Compound Name

N-[1-(1-benzyl-1H-1,3-benzodiazol-2-yl)ethyl]-4-chlorobenzamide

IUPAC name

N-[1-(1-benzyl-1H-13-benzodiazol-2-yl)ethyl]-4-chlorobenzamide

SMILES

CC(c1nc(cccc2)c2n1Cc1ccccc1)NC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H20ClN3O/c1-16(25-23(28)18-11-13-19(24)14-12-18)22-26-20-9-5-6-10-21(20)27(22)15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,28)/t16-/m0/s1

InChI Key

BLDTZZMLBFKAKU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02984305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.178

Distribution Coefficient, logD

5.174

Water Solubility, LogSw

-5.73

Polar Surface Area

33.744

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

D011-5226 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D011-5226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-5226?
Check Price and Availability of D011-5226, 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 D011-5226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-5226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-5226
  • 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 D011-5226 available by request