5042-0219 Screening compound: 4-(5-methyl-1H-1,3-benzodiazol-2-yl)aniline

5042-0219 Screening compound: 4-(5-methyl-1H-1,3-benzodiazol-2-yl)aniline
5042-0219 Screening compound: 4-(5-methyl-1H-1,3-benzodiazol-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5042-0219
4-(5-methyl-1H-1,3-benzodiazol-2-yl)aniline

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

5042-0219

Molecular Formula

C14H13N3 (C14 H13 N3)

Compound Name

4-(5-methyl-1H-1,3-benzodiazol-2-yl)aniline

IUPAC name

4-(5-methyl-1H-13-benzodiazol-2-yl)aniline

SMILES

Cc(cc1)cc2c1[nH]c(-c(cc1)ccc1N)n2

InChI

InChI=1S/C14H13N3/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3,(H,16,17)

InChI Key

BQAHOIQJVNOZKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00628968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.28

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.887

Distribution Coefficient, logD

2.886

Water Solubility, LogSw

-2.98

Polar Surface Area

40.064

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

5042-0219 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Structure:
  • Fragments
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5042-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5042-0219?
Check Price and Availability of 5042-0219, 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 5042-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5042-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5042-0219
  • 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 5042-0219 available by request