8016-9787 Screening compound: 2-benzoyl-1-benzyl-1H-1,3-benzodiazole

8016-9787 Screening compound: 2-benzoyl-1-benzyl-1H-1,3-benzodiazole
8016-9787 Screening compound: 2-benzoyl-1-benzyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9787
2-benzoyl-1-benzyl-1H-1,3-benzodiazole

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

8016-9787

Molecular Formula

C21H16N2O (C21 H16 N2 O)

Compound Name

2-benzoyl-1-benzyl-1H-1,3-benzodiazole

IUPAC name

2-benzoyl-1-benzyl-1H-13-benzodiazole

SMILES

O=C(c1nc(cccc2)c2n1Cc1ccccc1)c1ccccc1

InChI

InChI=1S/C21H16N2O/c24-20(17-11-5-2-6-12-17)21-22-18-13-7-8-14-19(18)23(21)15-16-9-3-1-4-10-16/h1-14H,15H2

InChI Key

SZMIKSILGJXJDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-4.96

Polar Surface Area

23.634

Acid Dissociation Constant (pKa)

21.55

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8016-9787 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-9787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9787?
Check Price and Availability of 8016-9787, 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 8016-9787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9787
  • 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 8016-9787 available by request