D271-0091 Screening compound: 5-(3-ethoxy-4-hydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0091 Screening compound: 5-(3-ethoxy-4-hydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0091 Screening compound: 5-(3-ethoxy-4-hydroxyphenyl)-2-{[(3-methylphenyl)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 D271-0091
5-(3-ethoxy-4-hydroxyphenyl)-2-{[(3-methylphenyl)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

D271-0091

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

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

IUPAC name

5-(3-ethoxy-4-hydroxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CCOc(cc(C(CC(N1)=O)C(C(N2)=O)=C1N=C2SCc1cc(C)ccc1)cc1)c1O

InChI

InChI=1S/C23H23N3O4S/c1-3-30-18-10-15(7-8-17(18)27)16-11-19(28)24-21-20(16)22(29)26-23(25-21)31-12-14-6-4-5-13(2)9-14/h4-10,16,27H,3,11-12H2,1-2H3,(H2,24,25,26,28,29)/t16-/m1/s1

InChI Key

ZWHJNEKHMJXQBY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD26967478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.942

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-3.10

Polar Surface Area

81.627

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with D271-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0091?
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What is the minimum amount of D271-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0091
  • 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 D271-0091 available by request