5811-0044 Screening compound: 9-bromo-6-butyl-2,3-bis(propan-2-yloxy)-6H-indolo[2,3-b]quinoxaline

5811-0044 Screening compound: 9-bromo-6-butyl-2,3-bis(propan-2-yloxy)-6H-indolo[2,3-b]quinoxaline
5811-0044 Screening compound: 9-bromo-6-butyl-2,3-bis(propan-2-yloxy)-6H-indolo[2,3-b]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5811-0044
9-bromo-6-butyl-2,3-bis(propan-2-yloxy)-6H-indolo[2,3-b]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

5811-0044

Molecular Formula

C24H28BrN3O2 (C24 H28 BrN3 O2)

Compound Name

9-bromo-6-butyl-2,3-bis(propan-2-yloxy)-6H-indolo[2,3-b]quinoxaline

IUPAC name

9-bromo-6-butyl-23-bis(propan-2-yloxy)-6H-indolo[23-b]quinoxaline

SMILES

CCCCn(c(ccc(Br)c1)c1c1nc2c3)c1nc2cc(OC(C)C)c3OC(C)C

InChI

InChI=1S/C24H28BrN3O2/c1-6-7-10-28-20-9-8-16(25)11-17(20)23-24(28)27-19-13-22(30-15(4)5)21(29-14(2)3)12-18(19)26-23/h8-9,11-15H,6-7,10H2,1-5H3

InChI Key

KVISWBZUXKVKQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01944852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.281

Distribution Coefficient, logD

7.278

Water Solubility, LogSw

-5.87

Polar Surface Area

33.519

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

5811-0044 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 5811-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5811-0044?
Check Price and Availability of 5811-0044, 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 5811-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5811-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5811-0044
  • 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 5811-0044 available by request