C700-2054 Screening compound: 1-(4-tert-butylbenzenesulfonyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]

C700-2054 Screening compound: 1-(4-tert-butylbenzenesulfonyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
C700-2054 Screening compound: 1-(4-tert-butylbenzenesulfonyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2054
1-(4-tert-butylbenzenesulfonyl)-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

C700-2054

Molecular Formula

C28H35N3O2S (C28 H35 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(C1(CC2)CCN2S(c2ccc(C(C)(C)C)cc2)(=O)=O)c(cc(C)cc2)c2-n2c1ccc2

InChI

InChI=1S/C28H35N3O2S/c1-6-31-25-20-21(2)9-14-24(25)30-17-7-8-26(30)28(31)15-18-29(19-16-28)34(32,33)23-12-10-22(11-13-23)27(3,4)5/h7-14,17,20H,6,15-16,18-19H2,1-5H3

InChI Key

DOSVTBNILIHMNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.232

Distribution Coefficient, logD

7.231

Water Solubility, LogSw

-5.68

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

42.90

C700-2054 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 C700-2054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2054?
Check Price and Availability of C700-2054, 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 C700-2054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2054
  • 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 C700-2054 available by request