C700-2052 Screening compound: 5'-ethyl-1-(4-methoxybenzenesulfonyl)-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]

C700-2052 Screening compound: 5'-ethyl-1-(4-methoxybenzenesulfonyl)-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
C700-2052 Screening compound: 5'-ethyl-1-(4-methoxybenzenesulfonyl)-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2052
5'-ethyl-1-(4-methoxybenzenesulfonyl)-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

C700-2052

Molecular Formula

C25H29N3O3S (C25 H29 N3 O3 S)

Compound Name

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

IUPAC name

5'-ethyl-1-(4-methoxybenzenesulfonyl)-7'-methyl-5'H-spiro[piperidine-44'-pyrrolo[12-a]quinoxaline]

SMILES

CCN(C1(CC2)CCN2S(c(cc2)ccc2OC)(=O)=O)c(cc(C)cc2)c2-n2c1ccc2

InChI

InChI=1S/C25H29N3O3S/c1-4-28-23-18-19(2)7-12-22(23)27-15-5-6-24(27)25(28)13-16-26(17-14-25)32(29,30)21-10-8-20(31-3)9-11-21/h5-12,15,18H,4,13-14,16-17H2,1-3H3

InChI Key

MPRKXVNMCWICQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.420

Distribution Coefficient, logD

5.419

Water Solubility, LogSw

-5.40

Polar Surface Area

42.529

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C700-2052 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Targeted Diversity Library (40567 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
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C700-2052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2052?
Check Price and Availability of C700-2052, 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 C700-2052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2052
  • 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 C700-2052 available by request