0498-0002 Screening compound: 4-[(4-amino-3,5-dimethylphenyl)(phenyl)methyl]-2,6-dimethylaniline

0498-0002 Screening compound: 4-[(4-amino-3,5-dimethylphenyl)(phenyl)methyl]-2,6-dimethylaniline
0498-0002 Screening compound: 4-[(4-amino-3,5-dimethylphenyl)(phenyl)methyl]-2,6-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0498-0002
4-[(4-amino-3,5-dimethylphenyl)(phenyl)methyl]-2,6-dimethylaniline

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

0498-0002

Molecular Formula

C23H26N2 (C23 H26 N2)

Compound Name

4-[(4-amino-3,5-dimethylphenyl)(phenyl)methyl]-2,6-dimethylaniline

IUPAC name

4-[(4-amino-35-dimethylphenyl)(phenyl)methyl]-26-dimethylaniline

SMILES

Cc1cc(C(c2ccccc2)c(cc2C)cc(C)c2N)cc(C)c1N

InChI

InChI=1S/C23H26N2/c1-14-10-19(11-15(2)22(14)24)21(18-8-6-5-7-9-18)20-12-16(3)23(25)17(4)13-20/h5-13,21H,24-25H2,1-4H3

InChI Key

MADRVTFUZLHYOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00187206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.47

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.089

Distribution Coefficient, logD

6.087

Water Solubility, LogSw

-5.88

Polar Surface Area

38.468

Acid Dissociation Constant (pKa)

22.32

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

0498-0002 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0498-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0498-0002?
Check Price and Availability of 0498-0002, 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 0498-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0498-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0498-0002
  • 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 0498-0002 available by request