D490-0355 Screening compound: 1-[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide

D490-0355 Screening compound: 1-[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide
D490-0355 Screening compound: 1-[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0355
1-[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]piperidine-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

D490-0355

Molecular Formula

C18H18ClN5OS (C18 H18 ClN5 OS)

Compound Name

1-[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide

IUPAC name

1-[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide

SMILES

CSc(nc1-c(cc2)ccc2Cl)nc(N(CC2)CCC2C(N)=O)c1C#N

InChI

InChI=1S/C18H18ClN5OS/c1-26-18-22-15(11-2-4-13(19)5-3-11)14(10-20)17(23-18)24-8-6-12(7-9-24)16(21)25/h2-5,12H,6-9H2,1H3,(H2,21,25)

InChI Key

ZSVRMHPNOIOKRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-4.37

Polar Surface Area

72.531

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D490-0355 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D490-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0355?
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What is the minimum amount of D490-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0355
  • 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 D490-0355 available by request