5122-2436 Screening compound: methyl 2-amino-1-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

5122-2436 Screening compound: methyl 2-amino-1-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
5122-2436 Screening compound: methyl 2-amino-1-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5122-2436
methyl 2-amino-1-(3,5-dichlorophenyl)-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

5122-2436

Molecular Formula

C18H12Cl2N4O2 (C18 H12 Cl2 N4 O2)

Compound Name

methyl 2-amino-1-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

IUPAC name

methyl 2-amino-1-(35-dichlorophenyl)-1H-pyrrolo[23-b]quinoxaline-3-carboxylate

SMILES

COC(c(c1nc2ccccc2nc11)c(N)n1-c1cc(Cl)cc(Cl)c1)=O

InChI

InChI=1S/C18H12Cl2N4O2/c1-26-18(25)14-15-17(23-13-5-3-2-4-12(13)22-15)24(16(14)21)11-7-9(19)6-10(20)8-11/h2-8H,21H2,1H3

InChI Key

YFSCNNJSGVDWID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03292205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.425

Distribution Coefficient, logD

4.425

Water Solubility, LogSw

-5.01

Polar Surface Area

61.156

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

5122-2436 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5122-2436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5122-2436?
Check Price and Availability of 5122-2436, 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 5122-2436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5122-2436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5122-2436
  • 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 5122-2436 available by request