D390-0722 Screening compound: 5-[(4-chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-N-(pyridin-3-yl)pyrimidine-4-carboxamide

D390-0722 Screening compound: 5-[(4-chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-N-(pyridin-3-yl)pyrimidine-4-carboxamide
D390-0722 Screening compound: 5-[(4-chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-N-(pyridin-3-yl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D390-0722
5-[(4-chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-N-(pyridin-3-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

D390-0722

Molecular Formula

C24H19ClN4OS2 (C24 H19 ClN4 OS2)

Compound Name

5-[(4-chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-N-(pyridin-3-yl)pyrimidine-4-carboxamide

IUPAC name

5-[(4-chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-N-(pyridin-3-yl)pyrimidine-4-carboxamide

SMILES

Cc1ccc(CSc(nc2)nc(C(Nc3cnccc3)=O)c2Sc(cc2)ccc2Cl)cc1

InChI

InChI=1S/C24H19ClN4OS2/c1-16-4-6-17(7-5-16)15-31-24-27-14-21(32-20-10-8-18(25)9-11-20)22(29-24)23(30)28-19-3-2-12-26-13-19/h2-14H,15H2,1H3,(H,28,30)

InChI Key

XSJDJUKBRRCCHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.03

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

5.993

Distribution Coefficient, logD

5.992

Water Solubility, LogSw

-6.15

Polar Surface Area

50.890

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D390-0722 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D390-0722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D390-0722?
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What is the minimum amount of D390-0722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D390-0722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D390-0722
  • 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 D390-0722 available by request