C382-0238 Screening compound: ethyl 1-{4-[(4-methylbenzenesulfonamido)methyl]benzoyl}piperidine-3-carboxylate

C382-0238 Screening compound: ethyl 1-{4-[(4-methylbenzenesulfonamido)methyl]benzoyl}piperidine-3-carboxylate
C382-0238 Screening compound: ethyl 1-{4-[(4-methylbenzenesulfonamido)methyl]benzoyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C382-0238
ethyl 1-{4-[(4-methylbenzenesulfonamido)methyl]benzoyl}piperidine-3-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

C382-0238

Molecular Formula

C23H28N2O5S (C23 H28 N2 O5 S)

Compound Name

ethyl 1-{4-[(4-methylbenzenesulfonamido)methyl]benzoyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{4-[(4-methylbenzenesulfonamido)methyl]benzoyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1ccc(CNS(c2ccc(C)cc2)(=O)=O)cc1)=O)=O

InChI

InChI=1S/C23H28N2O5S/c1-3-30-23(27)20-5-4-14-25(16-20)22(26)19-10-8-18(9-11-19)15-24-31(28,29)21-12-6-17(2)7-13-21/h6-13,20,24H,3-5,14-16H2,1-2H3/t20-/m0/s1

InChI Key

QUOTYCXIUGBJIT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14754926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

3.178

Water Solubility, LogSw

-3.33

Polar Surface Area

79.332

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C382-0238 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C382-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C382-0238?
Check Price and Availability of C382-0238, 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 C382-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C382-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C382-0238
  • 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 C382-0238 available by request