D271-0469 Screening compound: 5-(3-ethoxy-4-hydroxyphenyl)-2-(ethylsulfanyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0469 Screening compound: 5-(3-ethoxy-4-hydroxyphenyl)-2-(ethylsulfanyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0469 Screening compound: 5-(3-ethoxy-4-hydroxyphenyl)-2-(ethylsulfanyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D271-0469
5-(3-ethoxy-4-hydroxyphenyl)-2-(ethylsulfanyl)-1-methyl-1H,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

D271-0469

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

5-(3-ethoxy-4-hydroxyphenyl)-2-(ethylsulfanyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

5-(3-ethoxy-4-hydroxyphenyl)-2-(ethylsulfanyl)-1-methyl-1H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CCOc(cc(C(CC(N1)=O)C2=C1N(C)C(SCC)=NC2=O)cc1)c1O

InChI

InChI=1S/C18H21N3O4S/c1-4-25-13-8-10(6-7-12(13)22)11-9-14(23)19-16-15(11)17(24)20-18(21(16)3)26-5-2/h6-8,11,22H,4-5,9H2,1-3H3,(H,19,23)/t11-/m0/s1

InChI Key

DLIFTOVGWWMCMQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD14816181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.546

Distribution Coefficient, logD

1.379

Water Solubility, LogSw

-2.39

Polar Surface Area

74.112

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D271-0469 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D271-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0469?
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What is the minimum amount of D271-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0469
  • 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 D271-0469 available by request