C117-0349 Screening compound: methyl 2-(ethylsulfanyl)-7-methyl-4-oxo-5-(pyridin-3-yl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

C117-0349 Screening compound: methyl 2-(ethylsulfanyl)-7-methyl-4-oxo-5-(pyridin-3-yl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate
C117-0349 Screening compound: methyl 2-(ethylsulfanyl)-7-methyl-4-oxo-5-(pyridin-3-yl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C117-0349
methyl 2-(ethylsulfanyl)-7-methyl-4-oxo-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

C117-0349

Molecular Formula

C17H18N4O3S (C17 H18 N4 O3 S)

Compound Name

methyl 2-(ethylsulfanyl)-7-methyl-4-oxo-5-(pyridin-3-yl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

IUPAC name

methyl 2-(ethylsulfanyl)-7-methyl-4-oxo-5-(pyridin-3-yl)-3H4H5H8H-pyrido[23-d]pyrimidine-6-carboxylate

SMILES

CCSC(N1)=NC(NC(C)=C(C2c3cnccc3)C(OC)=O)=C2C1=O

InChI

InChI=1S/C17H18N4O3S/c1-4-25-17-20-14-13(15(22)21-17)12(10-6-5-7-18-8-10)11(9(2)19-14)16(23)24-3/h5-8,12H,4H2,1-3H3,(H2,19,20,21,22)/t12-/m1/s1

InChI Key

FMCULZSCEHSUKM-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD04457426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.423

Distribution Coefficient, logD

-0.376

Water Solubility, LogSw

-1.68

Polar Surface Area

74.746

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

C117-0349 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C117-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C117-0349?
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What is the minimum amount of C117-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C117-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C117-0349
  • 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 C117-0349 available by request