3395-0092 Screening compound: ethyl 1-(4-bromobenzenesulfonyl)piperidine-4-carboxylate

3395-0092 Screening compound: ethyl 1-(4-bromobenzenesulfonyl)piperidine-4-carboxylate
3395-0092 Screening compound: ethyl 1-(4-bromobenzenesulfonyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3395-0092
ethyl 1-(4-bromobenzenesulfonyl)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

3395-0092

Molecular Formula

C14H18BrNO4S (C14 H18 BrNO4 S)

Compound Name

ethyl 1-(4-bromobenzenesulfonyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(4-bromobenzenesulfonyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C14H18BrNO4S/c1-2-20-14(17)11-7-9-16(10-8-11)21(18,19)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3

InChI Key

FWXJKGQYWPKJRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01215098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.177

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-3.17

Polar Surface Area

52.703

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3395-0092 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3395-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3395-0092?
Check Price and Availability of 3395-0092, 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 3395-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3395-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3395-0092
  • 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 3395-0092 available by request