D392-0195 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D392-0195 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D392-0195 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D392-0195
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-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

D392-0195

Molecular Formula

C24H22FN3O4S (C24 H22 FN3 O4 S)

Compound Name

2-{[(2-fluorophenyl)methyl]sulfanyl}-5-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

2-{[(2-fluorophenyl)methyl]sulfanyl}-5-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

COc1cccc(C(CC(N2)=O)C(C(N3)=O)=C2N=C3SCc(cccc2)c2F)c1OCC=C

InChI

InChI=1S/C24H22FN3O4S/c1-3-11-32-21-15(8-6-10-18(21)31-2)16-12-19(29)26-22-20(16)23(30)28-24(27-22)33-13-14-7-4-5-9-17(14)25/h3-10,16H,1,11-13H2,2H3,(H2,26,27,28,29,30)/t16-/m1/s1

InChI Key

OPQBHKRVQBGYBO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27582942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

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

3.346

Distribution Coefficient, logD

3.336

Water Solubility, LogSw

-3.61

Polar Surface Area

73.090

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with D392-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D392-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D392-0195
  • 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 D392-0195 available by request