5787-1096 Screening compound: 2-benzyl-1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazole

5787-1096 Screening compound: 2-benzyl-1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazole
5787-1096 Screening compound: 2-benzyl-1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5787-1096
2-benzyl-1-[(4-tert-butylphenyl)methyl]-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

5787-1096

Molecular Formula

C25H26N2 (C25 H26 N2)

Compound Name

2-benzyl-1-[(4-tert-butylphenyl)methyl]-1H-1,3-benzodiazole

IUPAC name

2-benzyl-1-[(4-tert-butylphenyl)methyl]-1H-13-benzodiazole

SMILES

CC(C)(C)c1ccc(Cn2c(cccc3)c3nc2Cc2ccccc2)cc1

InChI

InChI=1S/C25H26N2/c1-25(2,3)21-15-13-20(14-16-21)18-27-23-12-8-7-11-22(23)26-24(27)17-19-9-5-4-6-10-19/h4-16H,17-18H2,1-3H3

InChI Key

GZLPSKJLMBWYQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.49

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.971

Distribution Coefficient, logD

6.967

Water Solubility, LogSw

-6.06

Polar Surface Area

10.872

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

5787-1096 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 5787-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5787-1096?
Check Price and Availability of 5787-1096, 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 5787-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5787-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5787-1096
  • 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 5787-1096 available by request