5750-1694 Screening compound: 2-(2-ethylbutanamido)-4,5-dimethoxybenzoic acid

5750-1694 Screening compound: 2-(2-ethylbutanamido)-4,5-dimethoxybenzoic acid
5750-1694 Screening compound: 2-(2-ethylbutanamido)-4,5-dimethoxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-1694
2-(2-ethylbutanamido)-4,5-dimethoxybenzoic 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

5750-1694

Molecular Formula

C15H21NO5 (C15 H21 NO5)

Compound Name

2-(2-ethylbutanamido)-4,5-dimethoxybenzoic acid

IUPAC name

2-(2-ethylbutanamido)-45-dimethoxybenzoic acid

SMILES

CCC(CC)C(Nc(cc(c(OC)c1)OC)c1C(O)=O)=O

InChI

InChI=1S/C15H21NO5/c1-5-9(6-2)14(17)16-11-8-13(21-4)12(20-3)7-10(11)15(18)19/h7-9H,5-6H2,1-4H3,(H,16,17)(H,18,19)

InChI Key

CHPFDGQCKZEMJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.452

Distribution Coefficient, logD

-0.615

Water Solubility, LogSw

-2.71

Polar Surface Area

66.572

Acid Dissociation Constant (pKa)

4.33

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

5750-1694 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5750-1694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-1694?
Check Price and Availability of 5750-1694, 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 5750-1694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-1694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-1694
  • 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 5750-1694 available by request