5072-1977 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-4-bromo-N-cyclohexylbenzene-1-sulfonamide

5072-1977 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-4-bromo-N-cyclohexylbenzene-1-sulfonamide
5072-1977 Screening compound: N-[2-(azepan-1-yl)-2-oxoethyl]-4-bromo-N-cyclohexylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5072-1977
N-[2-(azepan-1-yl)-2-oxoethyl]-4-bromo-N-cyclohexylbenzene-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

5072-1977

Molecular Formula

C20H29BrN2O3S (C20 H29 BrN2 O3 S)

Compound Name

N-[2-(azepan-1-yl)-2-oxoethyl]-4-bromo-N-cyclohexylbenzene-1-sulfonamide

IUPAC name

N-[2-(azepan-1-yl)-2-oxoethyl]-4-bromo-N-cyclohexylbenzene-1-sulfonamide

SMILES

O=C(CN(C1CCCCC1)S(c(cc1)ccc1Br)(=O)=O)N1CCCCCC1

InChI

InChI=1S/C20H29BrN2O3S/c21-17-10-12-19(13-11-17)27(25,26)23(18-8-4-3-5-9-18)16-20(24)22-14-6-1-2-7-15-22/h10-13,18H,1-9,14-16H2

InChI Key

BGYXCPGHBAGCBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02955251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.706

Distribution Coefficient, logD

4.706

Water Solubility, LogSw

-4.40

Polar Surface Area

48.349

Acid Dissociation Constant (pKa)

23.04

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

5072-1977 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 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 5072-1977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5072-1977?
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What is the minimum amount of 5072-1977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5072-1977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5072-1977
  • 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 5072-1977 available by request