M506-0115 Screening compound: 2-{[3-hydroxy-3-(3-methylphenyl)-2-oxo-2,3-dihydro-1H-indol-1-yl]methyl}benzonitrile

M506-0115 Screening compound: 2-{[3-hydroxy-3-(3-methylphenyl)-2-oxo-2,3-dihydro-1H-indol-1-yl]methyl}benzonitrile
M506-0115 Screening compound: 2-{[3-hydroxy-3-(3-methylphenyl)-2-oxo-2,3-dihydro-1H-indol-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound M506-0115
2-{[3-hydroxy-3-(3-methylphenyl)-2-oxo-2,3-dihydro-1H-indol-1-yl]methyl}benzonitrile

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

M506-0115

Molecular Formula

C23H18N2O2 (C23 H18 N2 O2)

Compound Name

2-{[3-hydroxy-3-(3-methylphenyl)-2-oxo-2,3-dihydro-1H-indol-1-yl]methyl}benzonitrile

IUPAC name

2-{[3-hydroxy-3-(3-methylphenyl)-2-oxo-23-dihydro-1H-indol-1-yl]methyl}benzonitrile

SMILES

Cc1cccc(C(c(cccc2)c2N2Cc(cccc3)c3C#N)(C2=O)O)c1

InChI

InChI=1S/C23H18N2O2/c1-16-7-6-10-19(13-16)23(27)20-11-4-5-12-21(20)25(22(23)26)15-18-9-3-2-8-17(18)14-24/h2-13,27H,15H2,1H3/t23-/m0/s1

InChI Key

HUMVOCWNOGLXMY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27544698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.24

Polar Surface Area

47.385

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

M506-0115 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with M506-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M506-0115?
Check Price and Availability of M506-0115, 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 M506-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M506-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M506-0115
  • 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 M506-0115 available by request