3473-2419 Screening compound: ethyl (4E)-4-(hydroxyimino)-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

3473-2419 Screening compound: ethyl (4E)-4-(hydroxyimino)-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
3473-2419 Screening compound: ethyl (4E)-4-(hydroxyimino)-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3473-2419
ethyl (4E)-4-(hydroxyimino)-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indole-2-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

3473-2419

Molecular Formula

C13H18N2O3 (C13 H18 N2 O3)

Compound Name

ethyl (4E)-4-(hydroxyimino)-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

ethyl (4E)-4-(hydroxyimino)-13-dimethyl-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCOC(c1c(C)c(/C(/CCC2)=N/O)c2n1C)=O

InChI

InChI=1S/C13H18N2O3/c1-4-18-13(16)12-8(2)11-9(14-17)6-5-7-10(11)15(12)3/h17H,4-7H2,1-3H3

InChI Key

PGEAWYODMNZPGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01241996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.731

Distribution Coefficient, logD

1.731

Water Solubility, LogSw

-1.49

Polar Surface Area

51.912

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

3473-2419 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3473-2419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3473-2419?
Check Price and Availability of 3473-2419, 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 3473-2419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3473-2419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3473-2419
  • 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 3473-2419 available by request