D390-0607 Screening compound: 2-(benzylsulfanyl)-5-[(4-methylphenyl)sulfanyl]-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

D390-0607 Screening compound: 2-(benzylsulfanyl)-5-[(4-methylphenyl)sulfanyl]-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
D390-0607 Screening compound: 2-(benzylsulfanyl)-5-[(4-methylphenyl)sulfanyl]-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D390-0607
2-(benzylsulfanyl)-5-[(4-methylphenyl)sulfanyl]-N-(1,3-thiazol-2-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

D390-0607

Molecular Formula

C22H18N4OS3 (C22 H18 N4 OS3)

Compound Name

2-(benzylsulfanyl)-5-[(4-methylphenyl)sulfanyl]-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

IUPAC name

2-(benzylsulfanyl)-5-[(4-methylphenyl)sulfanyl]-N-(13-thiazol-2-yl)pyrimidine-4-carboxamide

SMILES

Cc(cc1)ccc1Sc(c(C(Nc1nccs1)=O)n1)cnc1SCc1ccccc1

InChI

InChI=1S/C22H18N4OS3/c1-15-7-9-17(10-8-15)30-18-13-24-22(29-14-16-5-3-2-4-6-16)25-19(18)20(27)26-21-23-11-12-28-21/h2-13H,14H2,1H3,(H,23,26,27)

InChI Key

LKODFCLGDQGPIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.61

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

5.740

Distribution Coefficient, logD

5.733

Water Solubility, LogSw

-5.28

Polar Surface Area

51.850

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D390-0607 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D390-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D390-0607?
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What is the minimum amount of D390-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D390-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D390-0607
  • 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 D390-0607 available by request