4544-0057 Screening compound: 1-[(3,4-dichlorophenyl)methyl]-2-methyl-1H-1,3-benzodiazole

4544-0057 Screening compound: 1-[(3,4-dichlorophenyl)methyl]-2-methyl-1H-1,3-benzodiazole
4544-0057 Screening compound: 1-[(3,4-dichlorophenyl)methyl]-2-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4544-0057
1-[(3,4-dichlorophenyl)methyl]-2-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

4544-0057

Molecular Formula

C15H12Cl2N2 (C15 H12 Cl2 N2)

Compound Name

1-[(3,4-dichlorophenyl)methyl]-2-methyl-1H-1,3-benzodiazole

IUPAC name

1-[(34-dichlorophenyl)methyl]-2-methyl-1H-13-benzodiazole

SMILES

Cc1nc(cccc2)c2n1Cc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C15H12Cl2N2/c1-10-18-14-4-2-3-5-15(14)19(10)9-11-6-7-12(16)13(17)8-11/h2-8H,9H2,1H3

InChI Key

CLKPHHICILOAMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01056138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.18

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

4.810

Water Solubility, LogSw

-4.89

Polar Surface Area

10.944

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4544-0057 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4544-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4544-0057?
Check Price and Availability of 4544-0057, 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 4544-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4544-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4544-0057
  • 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 4544-0057 available by request