5122-1804 Screening compound: butyl 2-amino-1-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

5122-1804 Screening compound: butyl 2-amino-1-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
5122-1804 Screening compound: butyl 2-amino-1-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5122-1804
butyl 2-amino-1-(4-ethoxyphenyl)-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

5122-1804

Molecular Formula

C23H24N4O3 (C23 H24 N4 O3)

Compound Name

butyl 2-amino-1-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

IUPAC name

butyl 2-amino-1-(4-ethoxyphenyl)-1H-pyrrolo[23-b]quinoxaline-3-carboxylate

SMILES

CCCCOC(c(c1nc2ccccc2nc11)c(N)n1-c(cc1)ccc1OCC)=O

InChI

InChI=1S/C23H24N4O3/c1-3-5-14-30-23(28)19-20-22(26-18-9-7-6-8-17(18)25-20)27(21(19)24)15-10-12-16(13-11-15)29-4-2/h6-13H,3-5,14,24H2,1-2H3

InChI Key

CSXROWNQMMTZIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03418824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.865

Distribution Coefficient, logD

4.865

Water Solubility, LogSw

-4.80

Polar Surface Area

68.154

Acid Dissociation Constant (pKa)

17.06

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

5122-1804 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 5122-1804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5122-1804?
Check Price and Availability of 5122-1804, 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 5122-1804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5122-1804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5122-1804
  • 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 5122-1804 available by request