1990-3795 Screening compound: 4,6-dimethyl-2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carbonitrile

1990-3795 Screening compound: 4,6-dimethyl-2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carbonitrile
1990-3795 Screening compound: 4,6-dimethyl-2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1990-3795
4,6-dimethyl-2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carbonitrile

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

1990-3795

Molecular Formula

C15H12F3N3 (C15 H12 F3 N3)

Compound Name

4,6-dimethyl-2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carbonitrile

IUPAC name

46-dimethyl-2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carbonitrile

SMILES

Cc(cc(C)nc1Nc2cccc(C(F)(F)F)c2)c1C#N

InChI

InChI=1S/C15H12F3N3/c1-9-6-10(2)20-14(13(9)8-19)21-12-5-3-4-11(7-12)15(16,17)18/h3-7H,1-2H3,(H,20,21)

InChI Key

QWTKKFHPGHQVIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.56

Polar Surface Area

35.269

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1990-3795 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 1990-3795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1990-3795?
Check Price and Availability of 1990-3795, 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 1990-3795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1990-3795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1990-3795
  • 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 1990-3795 available by request