4951-0794 Screening compound: (3E)-3-{[(5-chloro-2-hydroxyphenyl)formamido]imino}-N-(4-methylpyridin-2-yl)butanamide

4951-0794 Screening compound: (3E)-3-{[(5-chloro-2-hydroxyphenyl)formamido]imino}-N-(4-methylpyridin-2-yl)butanamide
4951-0794 Screening compound: (3E)-3-{[(5-chloro-2-hydroxyphenyl)formamido]imino}-N-(4-methylpyridin-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4951-0794
(3E)-3-{[(5-chloro-2-hydroxyphenyl)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

4951-0794

Molecular Formula

C17H17ClN4O3 (C17 H17 ClN4 O3)

Compound Name

(3E)-3-{[(5-chloro-2-hydroxyphenyl)formamido]imino}-N-(4-methylpyridin-2-yl)butanamide

IUPAC name

(3E)-3-{[(5-chloro-2-hydroxyphenyl)formamido]imino}-N-(4-methylpyridin-2-yl)butanamide

SMILES

C/C(/CC(Nc1nccc(C)c1)=O)=N\NC(c(cc(cc1)Cl)c1O)=O

InChI

InChI=1S/C17H17ClN4O3/c1-10-5-6-19-15(7-10)20-16(24)8-11(2)21-22-17(25)13-9-12(18)3-4-14(13)23/h3-7,9,23H,8H2,1-2H3,(H,22,25)(H,19,20,24)

InChI Key

UBYMYPRRVLLMAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00515588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.8

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

3.142

Distribution Coefficient, logD

2.854

Water Solubility, LogSw

-3.36

Polar Surface Area

84.235

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4951-0794 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4951-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4951-0794?
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What is the minimum amount of 4951-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4951-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4951-0794
  • 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 4951-0794 available by request