C206-1175 Screening compound: ethyl 1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-3-carboxylate

C206-1175 Screening compound: ethyl 1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-3-carboxylate
C206-1175 Screening compound: ethyl 1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C206-1175
ethyl 1-[(5-bromothiophen-2-yl)sulfonyl]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

C206-1175

Molecular Formula

C12H16BrNO4S2 (C12 H16 BrNO4 S2)

Compound Name

ethyl 1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1S(c(s1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C12H16BrNO4S2/c1-2-18-12(15)9-4-3-7-14(8-9)20(16,17)11-6-5-10(13)19-11/h5-6,9H,2-4,7-8H2,1H3/t9-/m0/s1

InChI Key

PEDHNMAEKIYFBO-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05985780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.3

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

2.734

Distribution Coefficient, logD

2.734

Water Solubility, LogSw

-2.97

Polar Surface Area

53.655

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

-5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

C206-1175 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C206-1175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C206-1175?
Check Price and Availability of C206-1175, 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 C206-1175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C206-1175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C206-1175
  • 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 C206-1175 available by request