D207-0125 Screening compound: N-[(4-ethoxyphenyl)methyl]-N-[(oxolan-2-yl)methyl]-4-(piperidine-1-sulfonyl)benzene-1-sulfonamide

D207-0125 Screening compound: N-[(4-ethoxyphenyl)methyl]-N-[(oxolan-2-yl)methyl]-4-(piperidine-1-sulfonyl)benzene-1-sulfonamide
D207-0125 Screening compound: N-[(4-ethoxyphenyl)methyl]-N-[(oxolan-2-yl)methyl]-4-(piperidine-1-sulfonyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D207-0125
N-[(4-ethoxyphenyl)methyl]-N-[(oxolan-2-yl)methyl]-4-(piperidine-1-sulfonyl)benzene-1-sulfonamide

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

D207-0125

Molecular Formula

C25H34N2O6S2 (C25 H34 N2 O6 S2)

Compound Name

N-[(4-ethoxyphenyl)methyl]-N-[(oxolan-2-yl)methyl]-4-(piperidine-1-sulfonyl)benzene-1-sulfonamide

IUPAC name

N-[(4-ethoxyphenyl)methyl]-N-[(oxolan-2-yl)methyl]-4-(piperidine-1-sulfonyl)benzene-1-sulfonamide

SMILES

CCOc1ccc(CN(CC2OCCC2)S(c(cc2)ccc2S(N2CCCCC2)(=O)=O)(=O)=O)cc1

InChI

InChI=1S/C25H34N2O6S2/c1-2-32-22-10-8-21(9-11-22)19-27(20-23-7-6-18-33-23)35(30,31)25-14-12-24(13-15-25)34(28,29)26-16-4-3-5-17-26/h8-15,23H,2-7,16-20H2,1H3/t23-/m1/s1

InChI Key

YWRCNTORMWCFRZ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03737051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.69

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-3.56

Polar Surface Area

78.831

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

D207-0125 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D207-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D207-0125?
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What is the minimum amount of D207-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D207-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D207-0125
  • 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 D207-0125 available by request