C117-0940 Screening compound: propan-2-yl 7-methyl-5-(3-methylthiophen-2-yl)-4-oxo-2-(propylsulfanyl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

C117-0940 Screening compound: propan-2-yl 7-methyl-5-(3-methylthiophen-2-yl)-4-oxo-2-(propylsulfanyl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate
C117-0940 Screening compound: propan-2-yl 7-methyl-5-(3-methylthiophen-2-yl)-4-oxo-2-(propylsulfanyl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C117-0940
propan-2-yl 7-methyl-5-(3-methylthiophen-2-yl)-4-oxo-2-(propylsulfanyl)-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

C117-0940

Molecular Formula

C20H25N3O3S2 (C20 H25 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCSC(N1)=NC(NC(C)=C(C2c3c(C)ccs3)C(OC(C)C)=O)=C2C1=O

InChI

InChI=1S/C20H25N3O3S2/c1-6-8-28-20-22-17-15(18(24)23-20)14(16-11(4)7-9-27-16)13(12(5)21-17)19(25)26-10(2)3/h7,9-10,14H,6,8H2,1-5H3,(H2,21,22,23,24)/t14-/m0/s1

InChI Key

PFVWURVKDRWDCD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08262243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.083

Distribution Coefficient, logD

2.015

Water Solubility, LogSw

-3.94

Polar Surface Area

65.506

Acid Dissociation Constant (pKa)

5.34

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

C117-0940 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C117-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C117-0940?
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What is the minimum amount of C117-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C117-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C117-0940
  • 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 C117-0940 available by request