D392-0388 Screening compound: 2-(prop-2-yn-1-ylsulfanyl)-5-(4-propoxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D392-0388 Screening compound: 2-(prop-2-yn-1-ylsulfanyl)-5-(4-propoxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D392-0388 Screening compound: 2-(prop-2-yn-1-ylsulfanyl)-5-(4-propoxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D392-0388
2-(prop-2-yn-1-ylsulfanyl)-5-(4-propoxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-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

D392-0388

Molecular Formula

C19H19N3O3S (C19 H19 N3 O3 S)

Compound Name

2-(prop-2-yn-1-ylsulfanyl)-5-(4-propoxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

2-(prop-2-yn-1-ylsulfanyl)-5-(4-propoxyphenyl)-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CCCOc1ccc(C(CC(N2)=O)C(C(N3)=O)=C2N=C3SCC#C)cc1

InChI

InChI=1S/C19H19N3O3S/c1-3-9-25-13-7-5-12(6-8-13)14-11-15(23)20-17-16(14)18(24)22-19(21-17)26-10-4-2/h2,5-8,14H,3,9-11H2,1H3,(H2,20,21,22,23,24)/t14-/m1/s1

InChI Key

XFUHZIRAMFAWRN-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27583000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

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

2.206

Distribution Coefficient, logD

2.188

Water Solubility, LogSw

-2.74

Polar Surface Area

65.558

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D392-0388 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D392-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D392-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D392-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D392-0388
  • 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 D392-0388 available by request