C382-0358 Screening compound: N-{[4-(azepane-1-carbonyl)phenyl]methyl}-4-bromobenzene-1-sulfonamide

C382-0358 Screening compound: N-{[4-(azepane-1-carbonyl)phenyl]methyl}-4-bromobenzene-1-sulfonamide
C382-0358 Screening compound: N-{[4-(azepane-1-carbonyl)phenyl]methyl}-4-bromobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C382-0358
N-{[4-(azepane-1-carbonyl)phenyl]methyl}-4-bromobenzene-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

C382-0358

Molecular Formula

C20H23BrN2O3S (C20 H23 BrN2 O3 S)

Compound Name

N-{[4-(azepane-1-carbonyl)phenyl]methyl}-4-bromobenzene-1-sulfonamide

IUPAC name

n/a

SMILES

O=C(c1ccc(CNS(c(cc2)ccc2Br)(=O)=O)cc1)N1CCCCCC1

InChI

InChI=1S/C20H23BrN2O3S/c21-18-9-11-19(12-10-18)27(25,26)22-15-16-5-7-17(8-6-16)20(24)23-13-3-1-2-4-14-23/h5-12,22H,1-4,13-15H2

InChI Key

OIGLXHQWUFVESU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-4.10

Polar Surface Area

58.976

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C382-0358 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C382-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C382-0358?
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What is the minimum amount of C382-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C382-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C382-0358
  • 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 C382-0358 available by request