4963-0012 Screening compound: N'-[(3E)-5-chloro-1-(3-methylbutyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-hydroxybenzohydrazide

4963-0012 Screening compound: N'-[(3E)-5-chloro-1-(3-methylbutyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-hydroxybenzohydrazide
4963-0012 Screening compound: N'-[(3E)-5-chloro-1-(3-methylbutyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-hydroxybenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4963-0012
N'-[(3E)-5-chloro-1-(3-methylbutyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-hydroxybenzohydrazide

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

4963-0012

Molecular Formula

C20H20ClN3O3 (C20 H20 ClN3 O3)

Compound Name

N'-[(3E)-5-chloro-1-(3-methylbutyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-hydroxybenzohydrazide

IUPAC name

N'-[(3E)-5-chloro-1-(3-methylbutyl)-2-oxo-23-dihydro-1H-indol-3-ylidene]-2-hydroxybenzohydrazide

SMILES

CC(C)CCN(c(ccc(Cl)c1)c1/C1=N\NC(c(cccc2)c2O)=O)C1=O

InChI

InChI=1S/C20H20ClN3O3/c1-12(2)9-10-24-16-8-7-13(21)11-15(16)18(20(24)27)22-23-19(26)14-5-3-4-6-17(14)25/h3-8,11-12,25H,9-10H2,1-2H3,(H,23,26)

InChI Key

IEXMHYYSOORGPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04340974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

3.820

Water Solubility, LogSw

-4.42

Polar Surface Area

66.387

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4963-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4963-0012?
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What is the minimum amount of 4963-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4963-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4963-0012
  • 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 4963-0012 available by request