D271-0010 Screening compound: 5-(3,4-dihydroxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0010 Screening compound: 5-(3,4-dihydroxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0010 Screening compound: 5-(3,4-dihydroxyphenyl)-2-{[(2-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 D271-0010
5-(3,4-dihydroxyphenyl)-2-{[(2-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

D271-0010

Molecular Formula

C21H19N3O4S (C21 H19 N3 O4 S)

Compound Name

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

IUPAC name

5-(34-dihydroxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

Cc1c(CSC(N2)=NC(NC(CC3c(cc4)cc(O)c4O)=O)=C3C2=O)cccc1

InChI

InChI=1S/C21H19N3O4S/c1-11-4-2-3-5-13(11)10-29-21-23-19-18(20(28)24-21)14(9-17(27)22-19)12-6-7-15(25)16(26)8-12/h2-8,14,25-26H,9-10H2,1H3,(H2,22,23,24,27,28)/t14-/m1/s1

InChI Key

NRRMKOWADFQDQY-CQSZACIVSA-N

MDL Number (MFCD)

MFCD26967442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-2.56

Polar Surface Area

90.965

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D271-0010 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D271-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D271-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0010
  • 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 D271-0010 available by request