D271-0056 Screening compound: 5-(3-hydroxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0056 Screening compound: 5-(3-hydroxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0056 Screening compound: 5-(3-hydroxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D271-0056
5-(3-hydroxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-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

D271-0056

Molecular Formula

C16H15N3O3S (C16 H15 N3 O3 S)

Compound Name

5-(3-hydroxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

5-(3-hydroxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-3H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

C=CCSC(N1)=NC(NC(CC2c3cc(O)ccc3)=O)=C2C1=O

InChI

InChI=1S/C16H15N3O3S/c1-2-6-23-16-18-14-13(15(22)19-16)11(8-12(21)17-14)9-4-3-5-10(20)7-9/h2-5,7,11,20H,1,6,8H2,(H2,17,18,19,21,22)/t11-/m1/s1

InChI Key

WDBOLIXHLVRHOL-LLVKDONJSA-N

MDL Number (MFCD)

MFCD26967463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.390

Distribution Coefficient, logD

1.380

Water Solubility, LogSw

-2.08

Polar Surface Area

75.757

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

D271-0056 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D271-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0056?
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What is the minimum amount of D271-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0056
  • 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 D271-0056 available by request