3558-0030 Screening compound: ethyl 1-{4-chloro-3-[(4-chlorophenyl)carbamoyl]benzenesulfonyl}piperidine-4-carboxylate

3558-0030 Screening compound: ethyl 1-{4-chloro-3-[(4-chlorophenyl)carbamoyl]benzenesulfonyl}piperidine-4-carboxylate
3558-0030 Screening compound: ethyl 1-{4-chloro-3-[(4-chlorophenyl)carbamoyl]benzenesulfonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3558-0030
ethyl 1-{4-chloro-3-[(4-chlorophenyl)carbamoyl]benzenesulfonyl}piperidine-4-carboxylate

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

3558-0030

Molecular Formula

C21H22Cl2N2O5S (C21 H22 Cl2 N2 O5 S)

Compound Name

ethyl 1-{4-chloro-3-[(4-chlorophenyl)carbamoyl]benzenesulfonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{4-chloro-3-[(4-chlorophenyl)carbamoyl]benzenesulfonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(c(cc1)cc(C(Nc(cc2)ccc2Cl)=O)c1Cl)(=O)=O)=O

InChI

InChI=1S/C21H22Cl2N2O5S/c1-2-30-21(27)14-9-11-25(12-10-14)31(28,29)17-7-8-19(23)18(13-17)20(26)24-16-5-3-15(22)4-6-16/h3-8,13-14H,2,9-12H2,1H3,(H,24,26)

InChI Key

JTYUCHDTLCCBIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.39

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

4.546

Distribution Coefficient, logD

4.405

Water Solubility, LogSw

-4.68

Polar Surface Area

75.794

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 3558-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3558-0030?
Check Price and Availability of 3558-0030, 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 3558-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3558-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3558-0030
  • 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 3558-0030 available by request