D071-0002 Screening compound: 5,7-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4-ol

D071-0002 Screening compound: 5,7-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4-ol
D071-0002 Screening compound: 5,7-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D071-0002
5,7-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4-ol

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

D071-0002

Molecular Formula

C17H17N3OS (C17 H17 N3 OS)

Compound Name

5,7-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4-ol

IUPAC name

57-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyrido[23-d]pyrimidin-4-ol

SMILES

Cc1cccc(CSc2nc3nc(C)cc(C)c3c(O)n2)c1

InChI

InChI=1S/C17H17N3OS/c1-10-5-4-6-13(7-10)9-22-17-19-15-14(16(21)20-17)11(2)8-12(3)18-15/h4-8H,9H2,1-3H3,(H,18,19,20,21)

InChI Key

TVLAVNJEMPBEDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.42

Polar Surface Area

43.684

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D071-0002 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D071-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D071-0002?
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What is the minimum amount of D071-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D071-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D071-0002
  • 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 D071-0002 available by request