5787-1485 Screening compound: 1-[(4-tert-butylphenyl)methyl]-2-[(1E)-2-phenylethenyl]-1H-1,3-benzodiazole

5787-1485 Screening compound: 1-[(4-tert-butylphenyl)methyl]-2-[(1E)-2-phenylethenyl]-1H-1,3-benzodiazole
5787-1485 Screening compound: 1-[(4-tert-butylphenyl)methyl]-2-[(1E)-2-phenylethenyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5787-1485
1-[(4-tert-butylphenyl)methyl]-2-[(1E)-2-phenylethenyl]-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

5787-1485

Molecular Formula

C26H26N2 (C26 H26 N2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1ccc(Cn2c(cccc3)c3nc2/C=C/c2ccccc2)cc1

InChI

InChI=1S/C26H26N2/c1-26(2,3)22-16-13-21(14-17-22)19-28-24-12-8-7-11-23(24)27-25(28)18-15-20-9-5-4-6-10-20/h4-18H,19H2,1-3H3

InChI Key

GLSKFOQHISHDAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00215562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.51

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

7.446

Distribution Coefficient, logD

7.446

Water Solubility, LogSw

-6.05

Polar Surface Area

10.872

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

5787-1485 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5787-1485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5787-1485?
Check Price and Availability of 5787-1485, 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 5787-1485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5787-1485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5787-1485
  • 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 5787-1485 available by request