3455-1161 Screening compound: N-(2-phenylethyl)-4-propoxy-N-(4-propoxybenzenesulfonyl)benzene-1-sulfonamide

3455-1161 Screening compound: N-(2-phenylethyl)-4-propoxy-N-(4-propoxybenzenesulfonyl)benzene-1-sulfonamide
3455-1161 Screening compound: N-(2-phenylethyl)-4-propoxy-N-(4-propoxybenzenesulfonyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-1161
N-(2-phenylethyl)-4-propoxy-N-(4-propoxybenzenesulfonyl)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

3455-1161

Molecular Formula

C26H31NO6S2 (C26 H31 NO6 S2)

Compound Name

N-(2-phenylethyl)-4-propoxy-N-(4-propoxybenzenesulfonyl)benzene-1-sulfonamide

IUPAC name

N-(2-phenylethyl)-4-propoxy-N-(4-propoxybenzenesulfonyl)benzene-1-sulfonamide

SMILES

CCCOc(cc1)ccc1S(N(CCc1ccccc1)S(c(cc1)ccc1OCCC)(=O)=O)(=O)=O

InChI

InChI=1S/C26H31NO6S2/c1-3-20-32-23-10-14-25(15-11-23)34(28,29)27(19-18-22-8-6-5-7-9-22)35(30,31)26-16-12-24(13-17-26)33-21-4-2/h5-17H,3-4,18-21H2,1-2H3

InChI Key

DWKBIXPWAMGATH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01992867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.171

Distribution Coefficient, logD

6.171

Water Solubility, LogSw

-5.69

Polar Surface Area

74.220

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

-18.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

3455-1161 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 3455-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-1161?
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What is the minimum amount of 3455-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-1161
  • 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 3455-1161 available by request