D278-0163 Screening compound: ethyl 3-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoate

D278-0163 Screening compound: ethyl 3-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoate
D278-0163 Screening compound: ethyl 3-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D278-0163
ethyl 3-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-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

D278-0163

Molecular Formula

C17H19N3O2 (C17 H19 N3 O2)

Compound Name

ethyl 3-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoate

IUPAC name

ethyl 3-({2-methyl-5H6H7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoate

SMILES

CCOC(c1cc(Nc2nc(C)nc3c2CCC3)ccc1)=O

InChI

InChI=1S/C17H19N3O2/c1-3-22-17(21)12-6-4-7-13(10-12)20-16-14-8-5-9-15(14)18-11(2)19-16/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,18,19,20)

InChI Key

HUIASHRJISCINQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.36

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

4.061

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-4.08

Polar Surface Area

50.516

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D278-0163 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D278-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D278-0163?
Check Price and Availability of D278-0163, 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 D278-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D278-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D278-0163
  • 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 D278-0163 available by request