E228-2976 Screening compound: 4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-cyclooctylbutanamide

E228-2976 Screening compound: 4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-cyclooctylbutanamide
E228-2976 Screening compound: 4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-cyclooctylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-2976
4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-cyclooctylbutanamide

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

E228-2976

Molecular Formula

C23H28BrN3O2 (C23 H28 BrN3 O2)

Compound Name

4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-cyclooctylbutanamide

IUPAC name

4-{7-bromo-4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}-N-cyclooctylbutanamide

SMILES

O=C(CCCN(c(cc(cc1)Br)c1-n1c2ccc1)C2=O)NC1CCCCCCC1

InChI

InChI=1S/C23H28BrN3O2/c24-17-12-13-19-21(16-17)27(23(29)20-10-6-14-26(19)20)15-7-11-22(28)25-18-8-4-2-1-3-5-9-18/h6,10,12-14,16,18H,1-5,7-9,11,15H2,(H,25,28)

InChI Key

DMVOPHCSAMVGHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.036

Distribution Coefficient, logD

5.036

Water Solubility, LogSw

-4.69

Polar Surface Area

41.472

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

E228-2976 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E228-2976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-2976?
Check Price and Availability of E228-2976, 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 E228-2976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-2976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-2976
  • 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 E228-2976 available by request