D071-0004 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-ol

D071-0004 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-ol
D071-0004 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D071-0004
2-{[(4-fluorophenyl)methyl]sulfanyl}-5,7-dimethylpyrido[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

D071-0004

Molecular Formula

C16H14FN3OS (C16 H14 FN3 OS)

Compound Name

2-{[(4-fluorophenyl)methyl]sulfanyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-ol

IUPAC name

2-{[(4-fluorophenyl)methyl]sulfanyl}-57-dimethylpyrido[23-d]pyrimidin-4-ol

SMILES

Cc1c2c(O)nc(SCc(cc3)ccc3F)nc2nc(C)c1

InChI

InChI=1S/C16H14FN3OS/c1-9-7-10(2)18-14-13(9)15(21)20-16(19-14)22-8-11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H,18,19,20,21)

InChI Key

BLBFWOBOCPTAAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

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

3.412

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.59

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

18.80

D071-0004 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D071-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D071-0004?
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What is the minimum amount of D071-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D071-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D071-0004
  • 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 D071-0004 available by request