D216-0522 Screening compound: 4-(azepane-1-sulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1-sulfonamide

D216-0522 Screening compound: 4-(azepane-1-sulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1-sulfonamide
D216-0522 Screening compound: 4-(azepane-1-sulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0522
4-(azepane-1-sulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)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

D216-0522

Molecular Formula

C22H28N2O4S2 (C22 H28 N2 O4 S2)

Compound Name

4-(azepane-1-sulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1-sulfonamide

IUPAC name

4-(azepane-1-sulfonyl)-N-(1234-tetrahydronaphthalen-1-yl)benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1S(N1CCCCCC1)(=O)=O)(NC(CCC1)c2c1cccc2)=O

InChI

InChI=1S/C22H28N2O4S2/c25-29(26,23-22-11-7-9-18-8-3-4-10-21(18)22)19-12-14-20(15-13-19)30(27,28)24-16-5-1-2-6-17-24/h3-4,8,10,12-15,22-23H,1-2,5-7,9,11,16-17H2/t22-/m0/s1

InChI Key

HCDOWXVISWQENC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14814389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.576

Water Solubility, LogSw

-4.38

Polar Surface Area

74.096

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

D216-0522 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Purinergic Library (3321 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D216-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0522?
Check Price and Availability of D216-0522, 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 D216-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0522
  • 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 D216-0522 available by request