6738-0058 Screening compound: 1-methyl-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-amine

6738-0058 Screening compound: 1-methyl-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-amine
6738-0058 Screening compound: 1-methyl-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0058
1-methyl-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-amine

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

6738-0058

Molecular Formula

C18H21N3 (C18 H21 N3)

Compound Name

1-methyl-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-amine

IUPAC name

1-methyl-N-{[4-(propan-2-yl)phenyl]methyl}-1H-13-benzodiazol-2-amine

SMILES

CC(C)c1ccc(CNc2nc(cccc3)c3n2C)cc1

InChI

InChI=1S/C18H21N3/c1-13(2)15-10-8-14(9-11-15)12-19-18-20-16-6-4-5-7-17(16)21(18)3/h4-11,13H,12H2,1-3H3,(H,19,20)

InChI Key

DVYPIEIMNWHRJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711989

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

279.38

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

3.787

Water Solubility, LogSw

-4.31

Polar Surface Area

23.391

Acid Dissociation Constant (pKa)

18.95

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

6738-0058 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6738-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0058?
Check Price and Availability of 6738-0058, 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 6738-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0058
  • 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 6738-0058 available by request