D390-0675 Screening compound: 2-{[(4-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)-N-(pyridin-4-yl)pyrimidine-4-carboxamide

D390-0675 Screening compound: 2-{[(4-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)-N-(pyridin-4-yl)pyrimidine-4-carboxamide
D390-0675 Screening compound: 2-{[(4-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)-N-(pyridin-4-yl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D390-0675
2-{[(4-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)-N-(pyridin-4-yl)pyrimidine-4-carboxamide

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

D390-0675

Molecular Formula

C24H20N4OS2 (C24 H20 N4 OS2)

Compound Name

2-{[(4-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)-N-(pyridin-4-yl)pyrimidine-4-carboxamide

IUPAC name

2-{[(4-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)-N-(pyridin-4-yl)pyrimidine-4-carboxamide

SMILES

Cc1ccc(CSc(nc2)nc(C(Nc3ccncc3)=O)c2Sc2ccccc2)cc1

InChI

InChI=1S/C24H20N4OS2/c1-17-7-9-18(10-8-17)16-30-24-26-15-21(31-20-5-3-2-4-6-20)22(28-24)23(29)27-19-11-13-25-14-12-19/h2-15H,16H2,1H3,(H,25,27,29)

InChI Key

CTMCIJPKZPYGBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

5.109

Water Solubility, LogSw

-4.59

Polar Surface Area

50.800

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D390-0675 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D390-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D390-0675?
Check Price and Availability of D390-0675, 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 D390-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D390-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D390-0675
  • 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 D390-0675 available by request