C117-0821 Screening compound: ethyl 7-methyl-4-oxo-2-(prop-2-en-1-ylsulfanyl)-5-(pyridin-3-yl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

C117-0821 Screening compound: ethyl 7-methyl-4-oxo-2-(prop-2-en-1-ylsulfanyl)-5-(pyridin-3-yl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate
C117-0821 Screening compound: ethyl 7-methyl-4-oxo-2-(prop-2-en-1-ylsulfanyl)-5-(pyridin-3-yl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C117-0821
ethyl 7-methyl-4-oxo-2-(prop-2-en-1-ylsulfanyl)-5-(pyridin-3-yl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

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

C117-0821

Molecular Formula

C19H20N4O3S (C19 H20 N4 O3 S)

Compound Name

ethyl 7-methyl-4-oxo-2-(prop-2-en-1-ylsulfanyl)-5-(pyridin-3-yl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 7-methyl-4-oxo-2-(prop-2-en-1-ylsulfanyl)-5-(pyridin-3-yl)-3H4H5H8H-pyrido[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(C(C1c2cnccc2)=C(C)NC(N=C(N2)SCC=C)=C1C2=O)=O

InChI

InChI=1S/C19H20N4O3S/c1-4-9-27-19-22-16-15(17(24)23-19)14(12-7-6-8-20-10-12)13(11(3)21-16)18(25)26-5-2/h4,6-8,10,14H,1,5,9H2,2-3H3,(H2,21,22,23,24)/t14-/m1/s1

InChI Key

PQMDQDLWULIZRE-CQSZACIVSA-N

MDL Number (MFCD)

MFCD07838391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.108

Distribution Coefficient, logD

0.562

Water Solubility, LogSw

-2.23

Polar Surface Area

74.326

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

C117-0821 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 C117-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C117-0821?
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What is the minimum amount of C117-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C117-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C117-0821
  • 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 C117-0821 available by request