4664-1538 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-(methylsulfanyl)benzene-1-sulfonamide

4664-1538 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-(methylsulfanyl)benzene-1-sulfonamide
4664-1538 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-(methylsulfanyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4664-1538
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-(methylsulfanyl)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

4664-1538

Molecular Formula

C23H30N2O4S2 (C23 H30 N2 O4 S2)

Compound Name

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-(methylsulfanyl)benzene-1-sulfonamide

IUPAC name

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-(methylsulfanyl)benzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1N(CC(N1CCCCCC1)=O)S(c(cc1)ccc1SC)(=O)=O

InChI

InChI=1S/C23H30N2O4S2/c1-3-29-20-10-8-19(9-11-20)25(18-23(26)24-16-6-4-5-7-17-24)31(27,28)22-14-12-21(30-2)13-15-22/h8-15H,3-7,16-18H2,1-2H3

InChI Key

WRSAPVFSDCSPOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01187229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.05

Polar Surface Area

55.639

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

4664-1538 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4664-1538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4664-1538?
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What is the minimum amount of 4664-1538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4664-1538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4664-1538
  • 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 4664-1538 available by request