8016-8859 Screening compound: 5-(3-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione

8016-8859 Screening compound: 5-(3-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
8016-8859 Screening compound: 5-(3-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8859
5-(3-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione

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

8016-8859

Molecular Formula

C14H12ClN3O2S (C14 H12 ClN3 O2 S)

Compound Name

5-(3-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione

IUPAC name

5-(3-chlorophenyl)-2-(methylsulfanyl)-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CSC(N1)=NC(NC(CC2c3cccc(Cl)c3)=O)=C2C1=O

InChI

InChI=1S/C14H12ClN3O2S/c1-21-14-17-12-11(13(20)18-14)9(6-10(19)16-12)7-3-2-4-8(15)5-7/h2-5,9H,6H2,1H3,(H2,16,17,18,19,20)/t9-/m0/s1

InChI Key

YIWYCCIIKSCUQJ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05860001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.747

Distribution Coefficient, logD

1.729

Water Solubility, LogSw

-2.86

Polar Surface Area

58.140

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.43

8016-8859 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8016-8859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8859?
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What is the minimum amount of 8016-8859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8859
  • 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 8016-8859 available by request