D278-0171 Screening compound: methyl 4-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoate

D278-0171 Screening compound: methyl 4-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoate
D278-0171 Screening compound: methyl 4-({2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D278-0171
methyl 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

D278-0171

Molecular Formula

C16H17N3O2 (C16 H17 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(CCC2)c2c(Nc(cc2)ccc2C(OC)=O)n1

InChI

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

InChI Key

NZSOQIVIHJJWDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-3.64

Polar Surface Area

50.936

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D278-0171 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 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
Structure:
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D278-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D278-0171?
Check Price and Availability of D278-0171, 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 D278-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D278-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D278-0171
  • 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 D278-0171 available by request