C259-0727 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide

C259-0727 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
C259-0727 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-0727
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide

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

C259-0727

Molecular Formula

C20H26N2O5S2 (C20 H26 N2 O5 S2)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide

SMILES

COc(ccc(CCNC(C(CCC1)CN1S(c1cccs1)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C20H26N2O5S2/c1-26-17-8-7-15(13-18(17)27-2)9-10-21-20(23)16-5-3-11-22(14-16)29(24,25)19-6-4-12-28-19/h4,6-8,12-13,16H,3,5,9-11,14H2,1-2H3,(H,21,23)/t16-/m0/s1

InChI Key

RCSOCYINFYBETK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03829631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.649

Distribution Coefficient, logD

1.649

Water Solubility, LogSw

-2.54

Polar Surface Area

72.417

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

C259-0727 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C259-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-0727?
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What is the minimum amount of C259-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-0727
  • 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 C259-0727 available by request