3771-3853 Screening compound: 4-benzyl-1-(2,5-dibromobenzenesulfonyl)piperidine

3771-3853 Screening compound: 4-benzyl-1-(2,5-dibromobenzenesulfonyl)piperidine
3771-3853 Screening compound: 4-benzyl-1-(2,5-dibromobenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3771-3853
4-benzyl-1-(2,5-dibromobenzenesulfonyl)piperidine

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

3771-3853

Molecular Formula

C18H19Br2NO2S (C18 H19 Br2 NO2 S)

Compound Name

4-benzyl-1-(2,5-dibromobenzenesulfonyl)piperidine

IUPAC name

4-benzyl-1-(25-dibromobenzenesulfonyl)piperidine

SMILES

O=S(c(cc(cc1)Br)c1Br)(N1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C18H19Br2NO2S/c19-16-6-7-17(20)18(13-16)24(22,23)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2

InChI Key

XHTRVZUVWYNJFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02585342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

5.712

Water Solubility, LogSw

-6.01

Polar Surface Area

31.678

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3771-3853 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3771-3853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3771-3853?
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What is the minimum amount of 3771-3853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3771-3853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3771-3853
  • 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 3771-3853 available by request