5641-1843 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-1-(3,4-dimethoxybenzenesulfonyl)piperidine

5641-1843 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-1-(3,4-dimethoxybenzenesulfonyl)piperidine
5641-1843 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-1-(3,4-dimethoxybenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-1843
4-(4-benzylpiperidine-1-carbonyl)-1-(3,4-dimethoxybenzenesulfonyl)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

5641-1843

Molecular Formula

C26H34N2O5S (C26 H34 N2 O5 S)

Compound Name

4-(4-benzylpiperidine-1-carbonyl)-1-(3,4-dimethoxybenzenesulfonyl)piperidine

IUPAC name

4-(4-benzylpiperidine-1-carbonyl)-1-(34-dimethoxybenzenesulfonyl)piperidine

SMILES

COc(ccc(S(N(CC1)CCC1C(N1CCC(Cc2ccccc2)CC1)=O)(=O)=O)c1)c1OC

InChI

InChI=1S/C26H34N2O5S/c1-32-24-9-8-23(19-25(24)33-2)34(30,31)28-16-12-22(13-17-28)26(29)27-14-10-21(11-15-27)18-20-6-4-3-5-7-20/h3-9,19,21-22H,10-18H2,1-2H3

InChI Key

USGBAGVBACQGBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03707428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-4.12

Polar Surface Area

63.587

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5641-1843 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5641-1843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-1843?
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What is the minimum amount of 5641-1843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-1843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-1843
  • 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 5641-1843 available by request