D278-0478 Screening compound: 2-hydroxy-5-{[2-(methylsulfanyl)-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]amino}benzoic acid

D278-0478 Screening compound: 2-hydroxy-5-{[2-(methylsulfanyl)-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]amino}benzoic acid
D278-0478 Screening compound: 2-hydroxy-5-{[2-(methylsulfanyl)-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D278-0478
2-hydroxy-5-{[2-(methylsulfanyl)-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

D278-0478

Molecular Formula

C15H15N3O3S (C15 H15 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CSc1nc(Nc(cc2)cc(C(O)=O)c2O)c(CCC2)c2n1

InChI

InChI=1S/C15H15N3O3S/c1-22-15-17-11-4-2-3-9(11)13(18-15)16-8-5-6-12(19)10(7-8)14(20)21/h5-7,19H,2-4H2,1H3,(H,20,21)(H,16,17,18)

InChI Key

KMULGRRWOWHJAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816557

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

0.396

Water Solubility, LogSw

-4.00

Polar Surface Area

73.827

Acid Dissociation Constant (pKa)

3.47

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D278-0478 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D278-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D278-0478?
Check Price and Availability of D278-0478, 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 D278-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D278-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D278-0478
  • 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 D278-0478 available by request