D271-0061 Screening compound: 5-(3-hydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0061 Screening compound: 5-(3-hydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0061 Screening compound: 5-(3-hydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D271-0061
5-(3-hydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-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

D271-0061

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

5-(3-hydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

5-(3-hydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

Cc1cccc(CSC(N2)=NC(NC(CC3c4cc(O)ccc4)=O)=C3C2=O)c1

InChI

InChI=1S/C21H19N3O3S/c1-12-4-2-5-13(8-12)11-28-21-23-19-18(20(27)24-21)16(10-17(26)22-19)14-6-3-7-15(25)9-14/h2-9,16,25H,10-11H2,1H3,(H2,22,23,24,26,27)/t16-/m1/s1

InChI Key

FKRBHHBOTCFZOL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD26967467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

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

2.740

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-2.71

Polar Surface Area

75.485

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D271-0061 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 D271-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0061?
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What is the minimum amount of D271-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0061
  • 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 D271-0061 available by request