C866-0028 Screening compound: 2-(4-methoxyphenyl)-4-methyl-1-(3-methylphenyl)-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-one

C866-0028 Screening compound: 2-(4-methoxyphenyl)-4-methyl-1-(3-methylphenyl)-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-one
C866-0028 Screening compound: 2-(4-methoxyphenyl)-4-methyl-1-(3-methylphenyl)-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C866-0028
2-(4-methoxyphenyl)-4-methyl-1-(3-methylphenyl)-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-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

C866-0028

Molecular Formula

C25H22N2O2 (C25 H22 N2 O2)

Compound Name

2-(4-methoxyphenyl)-4-methyl-1-(3-methylphenyl)-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-one

IUPAC name

2-(4-methoxyphenyl)-4-methyl-1-(3-methylphenyl)-1H2H3H4H-pyrrolo[34-b]indol-3-one

SMILES

Cc1cccc(C(c2c(C3=O)n(C)c4c2cccc4)N3c(cc2)ccc2OC)c1

InChI

InChI=1S/C25H22N2O2/c1-16-7-6-8-17(15-16)23-22-20-9-4-5-10-21(20)26(2)24(22)25(28)27(23)18-11-13-19(29-3)14-12-18/h4-15,23H,1-3H3/t23-/m0/s1

InChI Key

OQXVYPAJFUEPOF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14802112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.236

Distribution Coefficient, logD

5.236

Water Solubility, LogSw

-5.38

Polar Surface Area

24.873

Acid Dissociation Constant (pKa)

16.18

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

C866-0028 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C866-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C866-0028?
Check Price and Availability of C866-0028, 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 C866-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C866-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C866-0028
  • 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 C866-0028 available by request