2552-0077 Screening compound: 10-[3-(azepane-1-sulfonyl)benzoyl]-10H-phenothiazine

2552-0077 Screening compound: 10-[3-(azepane-1-sulfonyl)benzoyl]-10H-phenothiazine
2552-0077 Screening compound: 10-[3-(azepane-1-sulfonyl)benzoyl]-10H-phenothiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2552-0077
10-[3-(azepane-1-sulfonyl)benzoyl]-10H-phenothiazine

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

2552-0077

Molecular Formula

C25H24N2O3S2 (C25 H24 N2 O3 S2)

Compound Name

10-[3-(azepane-1-sulfonyl)benzoyl]-10H-phenothiazine

IUPAC name

10-[3-(azepane-1-sulfonyl)benzoyl]-10H-phenothiazine

SMILES

O=C(c1cccc(S(N2CCCCCC2)(=O)=O)c1)N1c(cccc2)c2Sc2c1cccc2

InChI

InChI=1S/C25H24N2O3S2/c28-25(27-21-12-3-5-14-23(21)31-24-15-6-4-13-22(24)27)19-10-9-11-20(18-19)32(29,30)26-16-7-1-2-8-17-26/h3-6,9-15,18H,1-2,7-8,16-17H2

InChI Key

ZGDBTVRMXNSQHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01197388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.221

Distribution Coefficient, logD

5.221

Water Solubility, LogSw

-5.26

Polar Surface Area

45.912

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

2552-0077 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2552-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2552-0077?
Check Price and Availability of 2552-0077, 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 2552-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2552-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2552-0077
  • 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 2552-0077 available by request