5122-1859 Screening compound: butyl 2-amino-1-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

5122-1859 Screening compound: butyl 2-amino-1-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
5122-1859 Screening compound: butyl 2-amino-1-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5122-1859
butyl 2-amino-1-(2-hydroxyethyl)-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

5122-1859

Molecular Formula

C17H20N4O3 (C17 H20 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCOC(c1c(N)n(CCO)c2nc3ccccc3nc12)=O

InChI

InChI=1S/C17H20N4O3/c1-2-3-10-24-17(23)13-14-16(21(8-9-22)15(13)18)20-12-7-5-4-6-11(12)19-14/h4-7,22H,2-3,8-10,18H2,1H3

InChI Key

KCEKYQFOPCIMIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03418776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.567

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-2.52

Polar Surface Area

77.192

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

5122-1859 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5122-1859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5122-1859?
Check Price and Availability of 5122-1859, 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 5122-1859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5122-1859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5122-1859
  • 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 5122-1859 available by request