5132-0127 Screening compound: 2-oxo-3-{[4-(propan-2-yl)phenyl]amino}-2,3-dihydro-1H-indole-3-carbonitrile

5132-0127 Screening compound: 2-oxo-3-{[4-(propan-2-yl)phenyl]amino}-2,3-dihydro-1H-indole-3-carbonitrile
5132-0127 Screening compound: 2-oxo-3-{[4-(propan-2-yl)phenyl]amino}-2,3-dihydro-1H-indole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5132-0127
2-oxo-3-{[4-(propan-2-yl)phenyl]amino}-2,3-dihydro-1H-indole-3-carbonitrile

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

5132-0127

Molecular Formula

C18H17N3O (C18 H17 N3 O)

Compound Name

2-oxo-3-{[4-(propan-2-yl)phenyl]amino}-2,3-dihydro-1H-indole-3-carbonitrile

IUPAC name

2-oxo-3-{[4-(propan-2-yl)phenyl]amino}-23-dihydro-1H-indole-3-carbonitrile

SMILES

CC(C)c(cc1)ccc1NC(c(cccc1)c1N1)(C1=O)C#N

InChI

InChI=1S/C18H17N3O/c1-12(2)13-7-9-14(10-8-13)21-18(11-19)15-5-3-4-6-16(15)20-17(18)22/h3-10,12,21H,1-2H3,(H,20,22)/t18-/m0/s1

InChI Key

CDTSNXYJIPLUPC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02942835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.24

Polar Surface Area

53.403

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

5132-0127 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5132-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5132-0127?
Check Price and Availability of 5132-0127, 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 5132-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5132-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5132-0127
  • 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 5132-0127 available by request