D287-0006 Screening compound: 4-[(3,4-dimethylphenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

D287-0006 Screening compound: 4-[(3,4-dimethylphenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
D287-0006 Screening compound: 4-[(3,4-dimethylphenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D287-0006
4-[(3,4-dimethylphenyl)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

D287-0006

Molecular Formula

C20H18N4S (C20 H18 N4 S)

Compound Name

4-[(3,4-dimethylphenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

IUPAC name

4-[(34-dimethylphenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

SMILES

Cc(cc1)c(C)cc1Nc(nc(nc1-c2ccccc2)SC)c1C#N

InChI

InChI=1S/C20H18N4S/c1-13-9-10-16(11-14(13)2)22-19-17(12-21)18(23-20(24-19)25-3)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,22,23,24)

InChI Key

WOCBSEMMOOQYRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.615

Distribution Coefficient, logD

5.615

Water Solubility, LogSw

-5.74

Polar Surface Area

44.639

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D287-0006 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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 D287-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D287-0006?
Check Price and Availability of D287-0006, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D287-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D287-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D287-0006
  • 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 D287-0006 available by request