D287-0029 Screening compound: 4-[(2,5-dimethoxyphenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

D287-0029 Screening compound: 4-[(2,5-dimethoxyphenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
D287-0029 Screening compound: 4-[(2,5-dimethoxyphenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D287-0029
4-[(2,5-dimethoxyphenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

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

D287-0029

Molecular Formula

C20H18N4O2S (C20 H18 N4 O2 S)

Compound Name

4-[(2,5-dimethoxyphenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

IUPAC name

4-[(25-dimethoxyphenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

SMILES

COc(cc1)cc(Nc(nc(nc2-c3ccccc3)SC)c2C#N)c1OC

InChI

InChI=1S/C20H18N4O2S/c1-25-14-9-10-17(26-2)16(11-14)22-19-15(12-21)18(23-20(24-19)27-3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,22,23,24)

InChI Key

JOVGEVXJJHUVIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08154826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.628

Distribution Coefficient, logD

4.628

Water Solubility, LogSw

-4.66

Polar Surface Area

59.115

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D287-0029 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D287-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D287-0029?
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What is the minimum amount of D287-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D287-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D287-0029
  • 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 D287-0029 available by request