D392-0177 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxy-4-methoxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D392-0177 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxy-4-methoxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D392-0177 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxy-4-methoxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D392-0177
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxy-4-methoxyphenyl)-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

D392-0177

Molecular Formula

C21H18ClN3O4S (C21 H18 ClN3 O4 S)

Compound Name

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

IUPAC name

2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(3-hydroxy-4-methoxyphenyl)-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

COc(ccc(C(CC(N1)=O)C(C(N2)=O)=C1N=C2SCc(cc1)ccc1Cl)c1)c1O

InChI

InChI=1S/C21H18ClN3O4S/c1-29-16-7-4-12(8-15(16)26)14-9-17(27)23-19-18(14)20(28)25-21(24-19)30-10-11-2-5-13(22)6-3-11/h2-8,14,26H,9-10H2,1H3,(H2,23,24,25,27,28)/t14-/m1/s1

InChI Key

LSLOEOZUVGTYGG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27582928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.256

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-3.38

Polar Surface Area

82.047

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with D392-0177 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 D392-0177
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D392-0177
  • 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 D392-0177 available by request