C700-2081 Screening compound: 1-(3-chlorobenzenesulfonyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]

C700-2081 Screening compound: 1-(3-chlorobenzenesulfonyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
C700-2081 Screening compound: 1-(3-chlorobenzenesulfonyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2081
1-(3-chlorobenzenesulfonyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]

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

C700-2081

Molecular Formula

C24H26ClN3O2S (C24 H26 ClN3 O2 S)

Compound Name

1-(3-chlorobenzenesulfonyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]

IUPAC name

1-(3-chlorobenzenesulfonyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-44'-pyrrolo[12-a]quinoxaline]

SMILES

CCN(C1(CC2)CCN2S(c2cccc(Cl)c2)(=O)=O)c(cc(C)cc2)c2-n2c1ccc2

InChI

InChI=1S/C24H26ClN3O2S/c1-3-28-22-16-18(2)9-10-21(22)27-13-5-8-23(27)24(28)11-14-26(15-12-24)31(29,30)20-7-4-6-19(25)17-20/h4-10,13,16-17H,3,11-12,14-15H2,1-2H3

InChI Key

FQOLUBZTUSJFRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.032

Distribution Coefficient, logD

6.031

Water Solubility, LogSw

-6.02

Polar Surface Area

34.985

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C700-2081 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C700-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2081?
Check Price and Availability of C700-2081, 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 C700-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2081
  • 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 C700-2081 available by request