4748-0740 Screening compound: 3-{[(2E)-1,2,3,4-tetrahydroquinolin-2-ylidene]amino}propanoic acid

4748-0740 Screening compound: 3-{[(2E)-1,2,3,4-tetrahydroquinolin-2-ylidene]amino}propanoic acid
4748-0740 Screening compound: 3-{[(2E)-1,2,3,4-tetrahydroquinolin-2-ylidene]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4748-0740
3-{[(2E)-1,2,3,4-tetrahydroquinolin-2-ylidene]amino}propanoic acid

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

4748-0740

Molecular Formula

C12H14N2O2 (C12 H14 N2 O2)

Compound Name

3-{[(2E)-1,2,3,4-tetrahydroquinolin-2-ylidene]amino}propanoic acid

IUPAC name

3-{[(2E)-1234-tetrahydroquinolin-2-ylidene]amino}propanoic acid

SMILES

OC(CC/N=C(\CC1)/Nc2c1cccc2)=O

InChI

InChI=1S/C12H14N2O2/c15-12(16)7-8-13-11-6-5-9-3-1-2-4-10(9)14-11/h1-4H,5-8H2,(H,13,14)(H,15,16)

InChI Key

AIFXATVIFYWHBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03007589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.339

Distribution Coefficient, logD

1.339

Water Solubility, LogSw

-1.90

Polar Surface Area

48.872

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

11.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4748-0740 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4748-0740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4748-0740?
Check Price and Availability of 4748-0740, 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 4748-0740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4748-0740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4748-0740
  • 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 4748-0740 available by request