D278-0187 Screening compound: 2-methylpropyl 4-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoate

D278-0187 Screening compound: 2-methylpropyl 4-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoate
D278-0187 Screening compound: 2-methylpropyl 4-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D278-0187
2-methylpropyl 4-({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

D278-0187

Molecular Formula

C19H23N3O2 (C19 H23 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)COC(c(cc1)ccc1Nc1nc(C)nc2c1CCC2)=O

InChI

InChI=1S/C19H23N3O2/c1-12(2)11-24-19(23)14-7-9-15(10-8-14)22-18-16-5-4-6-17(16)20-13(3)21-18/h7-10,12H,4-6,11H2,1-3H3,(H,20,21,22)

InChI Key

UDZFWRWIZAHEHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09058001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-4.38

Polar Surface Area

50.891

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

D278-0187 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D278-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D278-0187?
Check Price and Availability of D278-0187, 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 D278-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D278-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D278-0187
  • 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 D278-0187 available by request