4900-0024 Screening compound: N-[(1E)-2-benzyl-8-methoxy-1H,2H,3H,4H-pyrazino[1,2-a]indol-1-ylidene]methanamine

4900-0024 Screening compound: N-[(1E)-2-benzyl-8-methoxy-1H,2H,3H,4H-pyrazino[1,2-a]indol-1-ylidene]methanamine
4900-0024 Screening compound: N-[(1E)-2-benzyl-8-methoxy-1H,2H,3H,4H-pyrazino[1,2-a]indol-1-ylidene]methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4900-0024
N-[(1E)-2-benzyl-8-methoxy-1H,2H,3H,4H-pyrazino[1,2-a]indol-1-ylidene]methanamine

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

4900-0024

Molecular Formula

C20H21N3O (C20 H21 N3 O)

Compound Name

N-[(1E)-2-benzyl-8-methoxy-1H,2H,3H,4H-pyrazino[1,2-a]indol-1-ylidene]methanamine

IUPAC name

N-[(1E)-2-benzyl-8-methoxy-1H2H3H4H-pyrazino[12-a]indol-1-ylidene]methanamine

SMILES

C/N=C(\c1c2)/N(Cc3ccccc3)CCn1c(cc1)c2cc1OC

InChI

InChI=1S/C20H21N3O/c1-21-20-19-13-16-12-17(24-2)8-9-18(16)23(19)11-10-22(20)14-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3

InChI Key

OUERQWUIBCAUMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02071746

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

319.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.950

Distribution Coefficient, logD

1.706

Water Solubility, LogSw

-4.14

Polar Surface Area

22.074

Acid Dissociation Constant (pKa)

24.29

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4900-0024 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4900-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4900-0024?
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What is the minimum amount of 4900-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4900-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4900-0024
  • 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 4900-0024 available by request