D390-0708 Screening compound: 2-{[(4-methylphenyl)methyl]sulfanyl}-5-[(4-methylphenyl)sulfanyl]-N-(pyridin-4-yl)pyrimidine-4-carboxamide

D390-0708 Screening compound: 2-{[(4-methylphenyl)methyl]sulfanyl}-5-[(4-methylphenyl)sulfanyl]-N-(pyridin-4-yl)pyrimidine-4-carboxamide
D390-0708 Screening compound: 2-{[(4-methylphenyl)methyl]sulfanyl}-5-[(4-methylphenyl)sulfanyl]-N-(pyridin-4-yl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D390-0708
2-{[(4-methylphenyl)methyl]sulfanyl}-5-[(4-methylphenyl)sulfanyl]-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

D390-0708

Molecular Formula

C25H22N4OS2 (C25 H22 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CSc(nc2)nc(C(Nc3ccncc3)=O)c2Sc2ccc(C)cc2)cc1

InChI

InChI=1S/C25H22N4OS2/c1-17-3-7-19(8-4-17)16-31-25-27-15-22(32-21-9-5-18(2)6-10-21)23(29-25)24(30)28-20-11-13-26-14-12-20/h3-15H,16H2,1-2H3,(H,26,28,30)

InChI Key

ZTYLYPMWNSCCSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.61

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

5.719

Distribution Coefficient, logD

5.717

Water Solubility, LogSw

-5.07

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

12.00

D390-0708 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D390-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D390-0708?
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What is the minimum amount of D390-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D390-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D390-0708
  • 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 D390-0708 available by request