4813-1787 Screening compound: (3E)-3-{[(2-hydroxy-3-methylphenyl)formamido]imino}-N-(6-methylpyridin-2-yl)butanamide

4813-1787 Screening compound: (3E)-3-{[(2-hydroxy-3-methylphenyl)formamido]imino}-N-(6-methylpyridin-2-yl)butanamide
4813-1787 Screening compound: (3E)-3-{[(2-hydroxy-3-methylphenyl)formamido]imino}-N-(6-methylpyridin-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4813-1787
(3E)-3-{[(2-hydroxy-3-methylphenyl)formamido]imino}-N-(6-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

4813-1787

Molecular Formula

C18H20N4O3 (C18 H20 N4 O3)

Compound Name

(3E)-3-{[(2-hydroxy-3-methylphenyl)formamido]imino}-N-(6-methylpyridin-2-yl)butanamide

IUPAC name

(3E)-3-{[(2-hydroxy-3-methylphenyl)formamido]imino}-N-(6-methylpyridin-2-yl)butanamide

SMILES

C/C(/CC(Nc1nc(C)ccc1)=O)=N\NC(c(cccc1C)c1O)=O

InChI

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

InChI Key

CASWPNCSWFFEBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447972

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

2.862

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-3.31

Polar Surface Area

82.541

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4813-1787 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 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 4813-1787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4813-1787?
Check Price and Availability of 4813-1787, 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 4813-1787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4813-1787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4813-1787
  • 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 4813-1787 available by request