5122-1775 Screening compound: methyl 2-amino-1-hexyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

5122-1775 Screening compound: methyl 2-amino-1-hexyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
5122-1775 Screening compound: methyl 2-amino-1-hexyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5122-1775
methyl 2-amino-1-hexyl-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

5122-1775

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

methyl 2-amino-1-hexyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

IUPAC name

methyl 2-amino-1-hexyl-1H-pyrrolo[23-b]quinoxaline-3-carboxylate

SMILES

CCCCCCn1c2nc3ccccc3nc2c(C(OC)=O)c1N

InChI

InChI=1S/C18H22N4O2/c1-3-4-5-8-11-22-16(19)14(18(23)24-2)15-17(22)21-13-10-7-6-9-12(13)20-15/h6-7,9-10H,3-5,8,11,19H2,1-2H3

InChI Key

DJENPGVEDZIEJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.190

Distribution Coefficient, logD

4.190

Water Solubility, LogSw

-4.47

Polar Surface Area

60.663

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

5122-1775 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5122-1775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5122-1775?
Check Price and Availability of 5122-1775, 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 5122-1775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5122-1775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5122-1775
  • 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 5122-1775 available by request