C382-0145 Screening compound: ethyl 4-{4-[(4-methoxybenzenesulfonamido)methyl]benzoyl}piperazine-1-carboxylate

C382-0145 Screening compound: ethyl 4-{4-[(4-methoxybenzenesulfonamido)methyl]benzoyl}piperazine-1-carboxylate
C382-0145 Screening compound: ethyl 4-{4-[(4-methoxybenzenesulfonamido)methyl]benzoyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C382-0145
ethyl 4-{4-[(4-methoxybenzenesulfonamido)methyl]benzoyl}piperazine-1-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

C382-0145

Molecular Formula

C22H27N3O6S (C22 H27 N3 O6 S)

Compound Name

ethyl 4-{4-[(4-methoxybenzenesulfonamido)methyl]benzoyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{4-[(4-methoxybenzenesulfonamido)methyl]benzoyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1ccc(CNS(c(cc2)ccc2OC)(=O)=O)cc1)=O)=O

InChI

InChI=1S/C22H27N3O6S/c1-3-31-22(27)25-14-12-24(13-15-25)21(26)18-6-4-17(5-7-18)16-23-32(28,29)20-10-8-19(30-2)9-11-20/h4-11,23H,3,12-16H2,1-2H3

InChI Key

SNURVLFRIAOHEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.326

Distribution Coefficient, logD

2.326

Water Solubility, LogSw

-2.77

Polar Surface Area

88.969

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C382-0145 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C382-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C382-0145?
Check Price and Availability of C382-0145, 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 C382-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C382-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C382-0145
  • 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 C382-0145 available by request