D011-5221 Screening compound: N-[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]-4-chlorobenzamide

D011-5221 Screening compound: N-[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]-4-chlorobenzamide
D011-5221 Screening compound: N-[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-5221
N-[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]-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

D011-5221

Molecular Formula

C22H18ClN3O (C22 H18 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1Cl)NCc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C22H18ClN3O/c23-18-12-10-17(11-13-18)22(27)24-14-21-25-19-8-4-5-9-20(19)26(21)15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)

InChI Key

ARNVCCCCJQCVJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02984269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.86

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

4.945

Distribution Coefficient, logD

4.942

Water Solubility, LogSw

-5.30

Polar Surface Area

35.557

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D011-5221 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with D011-5221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-5221?
Check Price and Availability of D011-5221, 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 D011-5221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-5221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-5221
  • 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 D011-5221 available by request