4951-0793 Screening compound: (3E)-3-{[(2-hydroxy-3-methylphenyl)formamido]imino}-N-(4-methylpyridin-2-yl)butanamide

4951-0793 Screening compound: (3E)-3-{[(2-hydroxy-3-methylphenyl)formamido]imino}-N-(4-methylpyridin-2-yl)butanamide
4951-0793 Screening compound: (3E)-3-{[(2-hydroxy-3-methylphenyl)formamido]imino}-N-(4-methylpyridin-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4951-0793
(3E)-3-{[(2-hydroxy-3-methylphenyl)formamido]imino}-N-(4-methylpyridin-2-yl)butanamide

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

4951-0793

Molecular Formula

C18H20N4O3 (C18 H20 N4 O3)

Compound Name

(3E)-3-{[(2-hydroxy-3-methylphenyl)formamido]imino}-N-(4-methylpyridin-2-yl)butanamide

IUPAC name

(3E)-3-{[(2-hydroxy-3-methylphenyl)formamido]imino}-N-(4-methylpyridin-2-yl)butanamide

SMILES

C/C(/CC(Nc1nccc(C)c1)=O)=N\NC(c(cccc1C)c1O)=O

InChI

InChI=1S/C18H20N4O3/c1-11-7-8-19-15(9-11)20-16(23)10-13(3)21-22-18(25)14-6-4-5-12(2)17(14)24/h4-9,24H,10H2,1-3H3,(H,22,25)(H,19,20,23)

InChI Key

XZJODWXCOASJHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00515578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-2.98

Polar Surface Area

83.166

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4951-0793 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4951-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4951-0793?
Check Price and Availability of 4951-0793, 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 4951-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4951-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4951-0793
  • 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 4951-0793 available by request