D278-0164 Screening compound: ethyl 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate

D278-0164 Screening compound: ethyl 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate
D278-0164 Screening compound: ethyl 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D278-0164
ethyl 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate

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

D278-0164

Molecular Formula

C15H17N3O2 (C15 H17 N3 O2)

Compound Name

ethyl 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate

IUPAC name

ethyl 3-[(26-dimethylpyrimidin-4-yl)amino]benzoate

SMILES

CCOC(c1cc(Nc2nc(C)nc(C)c2)ccc1)=O

InChI

InChI=1S/C15H17N3O2/c1-4-20-15(19)12-6-5-7-13(9-12)18-14-8-10(2)16-11(3)17-14/h5-9H,4H2,1-3H3,(H,16,17,18)

InChI Key

VBIBVAUJEULAIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09982334

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

271.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.405

Distribution Coefficient, logD

2.900

Water Solubility, LogSw

-3.45

Polar Surface Area

48.462

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D278-0164 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with D278-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D278-0164?
Check Price and Availability of D278-0164, 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 D278-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D278-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D278-0164
  • 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 D278-0164 available by request