V016-8552 Screening compound: 4-[(2-benzyl-5,6-dimethyl-1H-1,3-benzodiazol-1-yl)methyl]-N-[(pyridin-4-yl)methyl]benzamide

V016-8552 Screening compound: 4-[(2-benzyl-5,6-dimethyl-1H-1,3-benzodiazol-1-yl)methyl]-N-[(pyridin-4-yl)methyl]benzamide
V016-8552 Screening compound: 4-[(2-benzyl-5,6-dimethyl-1H-1,3-benzodiazol-1-yl)methyl]-N-[(pyridin-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8552
4-[(2-benzyl-5,6-dimethyl-1H-1,3-benzodiazol-1-yl)methyl]-N-[(pyridin-4-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

V016-8552

Molecular Formula

C30H28N4O (C30 H28 N4 O)

Compound Name

4-[(2-benzyl-5,6-dimethyl-1H-1,3-benzodiazol-1-yl)methyl]-N-[(pyridin-4-yl)methyl]benzamide

IUPAC name

4-[(2-benzyl-56-dimethyl-1H-13-benzodiazol-1-yl)methyl]-N-[(pyridin-4-yl)methyl]benzamide

SMILES

Cc(c(C)c1)cc2c1nc(Cc1ccccc1)n2Cc(cc1)ccc1C(NCc1ccncc1)=O

InChI

InChI=1S/C30H28N4O/c1-21-16-27-28(17-22(21)2)34(29(33-27)18-23-6-4-3-5-7-23)20-25-8-10-26(11-9-25)30(35)32-19-24-12-14-31-15-13-24/h3-17H,18-20H2,1-2H3,(H,32,35)

InChI Key

WRWDUDWUNIGYOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782735

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.313

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.20

Polar Surface Area

44.713

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V016-8552 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 V016-8552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8552?
Check Price and Availability of V016-8552, 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 V016-8552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8552
  • 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 V016-8552 available by request