C117-0882 Screening compound: prop-2-en-1-yl 7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-5-(pyridin-4-yl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate

C117-0882 Screening compound: prop-2-en-1-yl 7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-5-(pyridin-4-yl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate
C117-0882 Screening compound: prop-2-en-1-yl 7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-5-(pyridin-4-yl)-3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C117-0882
prop-2-en-1-yl 7-methyl-2-[(2-methylpropyl)sulfanyl]-4-oxo-5-(pyridin-4-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

C117-0882

Molecular Formula

C21H24N4O3S (C21 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CSC(N1)=NC(NC(C)=C(C2c3ccncc3)C(OCC=C)=O)=C2C1=O

InChI

InChI=1S/C21H24N4O3S/c1-5-10-28-20(27)15-13(4)23-18-17(16(15)14-6-8-22-9-7-14)19(26)25-21(24-18)29-11-12(2)3/h5-9,12,16H,1,10-11H2,2-4H3,(H2,23,24,25,26)/t16-/m1/s1

InChI Key

GAJUTIVDBCBMGA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD07803254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.571

Distribution Coefficient, logD

0.907

Water Solubility, LogSw

-2.79

Polar Surface Area

74.531

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C117-0882 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 C117-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C117-0882?
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What is the minimum amount of C117-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C117-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C117-0882
  • 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 C117-0882 available by request