D030-0465 Screening compound: N-[2-(azepan-1-yl)-2-phenylethyl]-4-chlorobenzene-1-sulfonamide

D030-0465 Screening compound: N-[2-(azepan-1-yl)-2-phenylethyl]-4-chlorobenzene-1-sulfonamide
D030-0465 Screening compound: N-[2-(azepan-1-yl)-2-phenylethyl]-4-chlorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D030-0465
N-[2-(azepan-1-yl)-2-phenylethyl]-4-chlorobenzene-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

D030-0465

Molecular Formula

C20H25ClN2O2S (C20 H25 ClN2 O2 S)

Compound Name

N-[2-(azepan-1-yl)-2-phenylethyl]-4-chlorobenzene-1-sulfonamide

IUPAC name

N-[2-(azepan-1-yl)-2-phenylethyl]-4-chlorobenzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1Cl)(NCC(c1ccccc1)N1CCCCCC1)=O

InChI

InChI=1S/C20H25ClN2O2S/c21-18-10-12-19(13-11-18)26(24,25)22-16-20(17-8-4-3-5-9-17)23-14-6-1-2-7-15-23/h3-5,8-13,20,22H,1-2,6-7,14-16H2/t20-/m0/s1

InChI Key

ALYDTJTXZZTPEP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14811161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.776

Distribution Coefficient, logD

4.644

Water Solubility, LogSw

-5.04

Polar Surface Area

45.317

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D030-0465 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D030-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D030-0465?
Check Price and Availability of D030-0465, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D030-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D030-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D030-0465
  • 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 D030-0465 available by request