C700-2066 Screening compound: 1-(2-bromobenzoyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]

C700-2066 Screening compound: 1-(2-bromobenzoyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
C700-2066 Screening compound: 1-(2-bromobenzoyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline] alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2066
1-(2-bromobenzoyl)-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

C700-2066

Molecular Formula

C25H26BrN3O (C25 H26 BrN3 O)

Compound Name

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

IUPAC name

1-(2-bromobenzoyl)-5'-ethyl-7'-methyl-5'H-spiro[piperidine-44'-pyrrolo[12-a]quinoxaline]

SMILES

CCN(C1(CC2)CCN2C(c(cccc2)c2Br)=O)c(cc(C)cc2)c2-n2c1ccc2

InChI

InChI=1S/C25H26BrN3O/c1-3-29-22-17-18(2)10-11-21(22)28-14-6-9-23(28)25(29)12-15-27(16-13-25)24(30)19-7-4-5-8-20(19)26/h4-11,14,17H,3,12-13,15-16H2,1-2H3

InChI Key

BMRGVMAFZSIDRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.368

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.35

Polar Surface Area

19.923

Acid Dissociation Constant (pKa)

25.82

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C700-2066 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C700-2066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2066?
Check Price and Availability of C700-2066, 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 C700-2066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2066
  • 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 C700-2066 available by request