D278-0203 Screening compound: 4-methyl-3-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoic acid

D278-0203 Screening compound: 4-methyl-3-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoic acid
D278-0203 Screening compound: 4-methyl-3-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D278-0203
4-methyl-3-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoic acid

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

D278-0203

Molecular Formula

C16H17N3O2 (C16 H17 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(C(O)=O)c1)c1Nc1nc(C)nc2c1CCC2

InChI

InChI=1S/C16H17N3O2/c1-9-6-7-11(16(20)21)8-14(9)19-15-12-4-3-5-13(12)17-10(2)18-15/h6-8H,3-5H2,1-2H3,(H,20,21)(H,17,18,19)

InChI Key

ZSDGLAWBRDVDNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09982338

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.501

Distribution Coefficient, logD

3.501

Water Solubility, LogSw

-3.69

Polar Surface Area

57.472

Acid Dissociation Constant (pKa)

4.52

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D278-0203 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D278-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D278-0203?
Check Price and Availability of D278-0203, 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 D278-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D278-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D278-0203
  • 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 D278-0203 available by request