D356-0866 Screening compound: methyl 4-chloro-3-{1-[(3-methylphenyl)methanesulfonyl]piperidine-4-amido}benzoate

D356-0866 Screening compound: methyl 4-chloro-3-{1-[(3-methylphenyl)methanesulfonyl]piperidine-4-amido}benzoate
D356-0866 Screening compound: methyl 4-chloro-3-{1-[(3-methylphenyl)methanesulfonyl]piperidine-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-0866
methyl 4-chloro-3-{1-[(3-methylphenyl)methanesulfonyl]piperidine-4-amido}benzoate

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

D356-0866

Molecular Formula

C22H25ClN2O5S (C22 H25 ClN2 O5 S)

Compound Name

methyl 4-chloro-3-{1-[(3-methylphenyl)methanesulfonyl]piperidine-4-amido}benzoate

IUPAC name

methyl 4-chloro-3-{1-[(3-methylphenyl)methanesulfonyl]piperidine-4-amido}benzoate

SMILES

Cc1cccc(CS(N(CC2)CCC2C(Nc(cc(cc2)C(OC)=O)c2Cl)=O)(=O)=O)c1

InChI

InChI=1S/C22H25ClN2O5S/c1-15-4-3-5-16(12-15)14-31(28,29)25-10-8-17(9-11-25)21(26)24-20-13-18(22(27)30-2)6-7-19(20)23/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,24,26)

InChI Key

KWNDTECQLFGLHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14822993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.37

Polar Surface Area

75.411

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with D356-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-0866?
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What is the minimum amount of D356-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-0866
  • 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 D356-0866 available by request