Y020-5891 Screening compound: [(2-benzoyl-4-chlorophenyl)carbamoyl]methyl 4-methylpiperidine-1-carbodithioate

Y020-5891 Screening compound: [(2-benzoyl-4-chlorophenyl)carbamoyl]methyl 4-methylpiperidine-1-carbodithioate
Y020-5891 Screening compound: [(2-benzoyl-4-chlorophenyl)carbamoyl]methyl 4-methylpiperidine-1-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5891
[(2-benzoyl-4-chlorophenyl)carbamoyl]methyl 4-methylpiperidine-1-carbodithioate

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

Y020-5891

Molecular Formula

C22H23ClN2O2S2 (C22 H23 ClN2 O2 S2)

Compound Name

[(2-benzoyl-4-chlorophenyl)carbamoyl]methyl 4-methylpiperidine-1-carbodithioate

IUPAC name

[(2-benzoyl-4-chlorophenyl)carbamoyl]methyl 4-methylpiperidine-1-carbodithioate

SMILES

CC(CC1)CCN1C(SCC(Nc(ccc(Cl)c1)c1C(c1ccccc1)=O)=O)=S

InChI

InChI=1S/C22H23ClN2O2S2/c1-15-9-11-25(12-10-15)22(28)29-14-20(26)24-19-8-7-17(23)13-18(19)21(27)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,24,26)

InChI Key

JNYRBHIFDXSORD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03941330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.253

Distribution Coefficient, logD

5.249

Water Solubility, LogSw

-5.69

Polar Surface Area

38.977

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with Y020-5891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5891?
Check Price and Availability of Y020-5891, 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 Y020-5891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5891
  • 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 Y020-5891 available by request