5212-3178 Screening compound: (3Z)-3-(hydroxyimino)-1-[(piperidin-1-yl)methyl]-2,3-dihydro-1H-indol-2-one

5212-3178 Screening compound: (3Z)-3-(hydroxyimino)-1-[(piperidin-1-yl)methyl]-2,3-dihydro-1H-indol-2-one
5212-3178 Screening compound: (3Z)-3-(hydroxyimino)-1-[(piperidin-1-yl)methyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5212-3178
(3Z)-3-(hydroxyimino)-1-[(piperidin-1-yl)methyl]-2,3-dihydro-1H-indol-2-one

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

5212-3178

Molecular Formula

C14H17N3O2 (C14 H17 N3 O2)

Compound Name

(3Z)-3-(hydroxyimino)-1-[(piperidin-1-yl)methyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

(3Z)-3-(hydroxyimino)-1-[(piperidin-1-yl)methyl]-23-dihydro-1H-indol-2-one

SMILES

O/N=C(/c(cccc1)c1N1CN2CCCCC2)\C1=O

InChI

InChI=1S/C14H17N3O2/c18-14-13(15-19)11-6-2-3-7-12(11)17(14)10-16-8-4-1-5-9-16/h2-3,6-7,19H,1,4-5,8-10H2

InChI Key

VBIIEOMNUPLAFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03298949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.552

Distribution Coefficient, logD

1.142

Water Solubility, LogSw

-2.18

Polar Surface Area

49.605

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

5212-3178 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5212-3178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5212-3178?
Check Price and Availability of 5212-3178, 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 5212-3178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5212-3178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5212-3178
  • 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 5212-3178 available by request