5641-1839 Screening compound: methyl 2-[1-(3,4-dimethoxybenzenesulfonyl)piperidine-4-amido]benzoate

5641-1839 Screening compound: methyl 2-[1-(3,4-dimethoxybenzenesulfonyl)piperidine-4-amido]benzoate
5641-1839 Screening compound: methyl 2-[1-(3,4-dimethoxybenzenesulfonyl)piperidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-1839
methyl 2-[1-(3,4-dimethoxybenzenesulfonyl)piperidine-4-amido]benzoate

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

5641-1839

Molecular Formula

C22H26N2O7S (C22 H26 N2 O7 S)

Compound Name

methyl 2-[1-(3,4-dimethoxybenzenesulfonyl)piperidine-4-amido]benzoate

IUPAC name

methyl 2-[1-(34-dimethoxybenzenesulfonyl)piperidine-4-amido]benzoate

SMILES

COC(c(cccc1)c1NC(C(CC1)CCN1S(c(cc1)cc(OC)c1OC)(=O)=O)=O)=O

InChI

InChI=1S/C22H26N2O7S/c1-29-19-9-8-16(14-20(19)30-2)32(27,28)24-12-10-15(11-13-24)21(25)23-18-7-5-4-6-17(18)22(26)31-3/h4-9,14-15H,10-13H2,1-3H3,(H,23,25)

InChI Key

UCPGIEUCZLTUFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03269455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.376

Distribution Coefficient, logD

2.307

Water Solubility, LogSw

-3.12

Polar Surface Area

90.777

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 5641-1839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-1839?
Check Price and Availability of 5641-1839, 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 5641-1839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-1839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-1839
  • 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 5641-1839 available by request