D392-0205 Screening compound: 5-(3-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D392-0205 Screening compound: 5-(3-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D392-0205 Screening compound: 5-(3-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D392-0205
5-(3-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-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

D392-0205

Molecular Formula

C22H20FN3O3S (C22 H20 FN3 O3 S)

Compound Name

5-(3-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

5-(3-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CCOc1cccc(C(CC(N2)=O)C(C(N3)=O)=C2N=C3SCc(cccc2)c2F)c1

InChI

InChI=1S/C22H20FN3O3S/c1-2-29-15-8-5-7-13(10-15)16-11-18(27)24-20-19(16)21(28)26-22(25-20)30-12-14-6-3-4-9-17(14)23/h3-10,16H,2,11-12H2,1H3,(H2,24,25,26,27,28)/t16-/m1/s1

InChI Key

KLYNJPIJHAXXLI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27582946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.225

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.44

Polar Surface Area

64.992

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D392-0205 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D392-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D392-0205?
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What is the minimum amount of D392-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D392-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D392-0205
  • 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 D392-0205 available by request