5122-1856 Screening compound: butyl 2-amino-1-[2-(cyclohex-1-en-1-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

5122-1856 Screening compound: butyl 2-amino-1-[2-(cyclohex-1-en-1-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
5122-1856 Screening compound: butyl 2-amino-1-[2-(cyclohex-1-en-1-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5122-1856
butyl 2-amino-1-[2-(cyclohex-1-en-1-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

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

5122-1856

Molecular Formula

C23H28N4O2 (C23 H28 N4 O2)

Compound Name

butyl 2-amino-1-[2-(cyclohex-1-en-1-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

IUPAC name

butyl 2-amino-1-[2-(cyclohex-1-en-1-yl)ethyl]-1H-pyrrolo[23-b]quinoxaline-3-carboxylate

SMILES

CCCCOC(c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12)=O

InChI

InChI=1S/C23H28N4O2/c1-2-3-15-29-23(28)19-20-22(26-18-12-8-7-11-17(18)25-20)27(21(19)24)14-13-16-9-5-4-6-10-16/h7-9,11-12H,2-6,10,13-15,24H2,1H3

InChI Key

NTQILBFISZLRNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03418813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.108

Distribution Coefficient, logD

5.108

Water Solubility, LogSw

-5.00

Polar Surface Area

60.457

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

5122-1856 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5122-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5122-1856?
Check Price and Availability of 5122-1856, 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 5122-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5122-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5122-1856
  • 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 5122-1856 available by request