D271-0054 Screening compound: 2-(ethylsulfanyl)-5-(3-hydroxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0054 Screening compound: 2-(ethylsulfanyl)-5-(3-hydroxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0054 Screening compound: 2-(ethylsulfanyl)-5-(3-hydroxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D271-0054
2-(ethylsulfanyl)-5-(3-hydroxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

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

D271-0054

Molecular Formula

C15H15N3O3S (C15 H15 N3 O3 S)

Compound Name

2-(ethylsulfanyl)-5-(3-hydroxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

2-(ethylsulfanyl)-5-(3-hydroxyphenyl)-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CCSC(N1)=NC(NC(CC2c3cc(O)ccc3)=O)=C2C1=O

InChI

InChI=1S/C15H15N3O3S/c1-2-22-15-17-13-12(14(21)18-15)10(7-11(20)16-13)8-4-3-5-9(19)6-8/h3-6,10,19H,2,7H2,1H3,(H2,16,17,18,20,21)/t10-/m1/s1

InChI Key

ACCVJVJQCZKQDO-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD26967461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.145

Distribution Coefficient, logD

1.128

Water Solubility, LogSw

-2.11

Polar Surface Area

75.757

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

D271-0054 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D271-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0054?
Check Price and Availability of D271-0054, 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 D271-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0054
  • 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 D271-0054 available by request