D271-0537 Screening compound: methyl 4-[2-(benzylsulfanyl)-1-methyl-4,7-dioxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-5-yl]benzoate

D271-0537 Screening compound: methyl 4-[2-(benzylsulfanyl)-1-methyl-4,7-dioxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-5-yl]benzoate
D271-0537 Screening compound: methyl 4-[2-(benzylsulfanyl)-1-methyl-4,7-dioxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D271-0537
methyl 4-[2-(benzylsulfanyl)-1-methyl-4,7-dioxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-5-yl]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

D271-0537

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

methyl 4-[2-(benzylsulfanyl)-1-methyl-4,7-dioxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-5-yl]benzoate

IUPAC name

methyl 4-[2-(benzylsulfanyl)-1-methyl-47-dioxo-1H4H5H6H7H8H-pyrido[23-d]pyrimidin-5-yl]benzoate

SMILES

CN(C(NC(C1)=O)=C2C1c(cc1)ccc1C(OC)=O)C(SCc1ccccc1)=NC2=O

InChI

InChI=1S/C23H21N3O4S/c1-26-20-19(21(28)25-23(26)31-13-14-6-4-3-5-7-14)17(12-18(27)24-20)15-8-10-16(11-9-15)22(29)30-2/h3-11,17H,12-13H2,1-2H3,(H,24,27)/t17-/m0/s1

InChI Key

HRKMCNDASWFYII-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14816226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-3.02

Polar Surface Area

71.256

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

D271-0537 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D271-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0537?
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What is the minimum amount of D271-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0537
  • 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 D271-0537 available by request