C866-0016 Screening compound: 2-(4-methoxyphenyl)-4-methyl-1-(2,4,5-trimethoxyphenyl)-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-one

C866-0016 Screening compound: 2-(4-methoxyphenyl)-4-methyl-1-(2,4,5-trimethoxyphenyl)-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-one
C866-0016 Screening compound: 2-(4-methoxyphenyl)-4-methyl-1-(2,4,5-trimethoxyphenyl)-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C866-0016
2-(4-methoxyphenyl)-4-methyl-1-(2,4,5-trimethoxyphenyl)-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

C866-0016

Molecular Formula

C27H26N2O5 (C27 H26 N2 O5)

Compound Name

2-(4-methoxyphenyl)-4-methyl-1-(2,4,5-trimethoxyphenyl)-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-one

IUPAC name

2-(4-methoxyphenyl)-4-methyl-1-(245-trimethoxyphenyl)-1H2H3H4H-pyrrolo[34-b]indol-3-one

SMILES

Cn1c(C(N(C2c(cc(c(OC)c3)OC)c3OC)c(cc3)ccc3OC)=O)c2c2c1cccc2

InChI

InChI=1S/C27H26N2O5/c1-28-20-9-7-6-8-18(20)24-25(19-14-22(33-4)23(34-5)15-21(19)32-3)29(27(30)26(24)28)16-10-12-17(31-2)13-11-16/h6-15,25H,1-5H3/t25-/m0/s1

InChI Key

LFNKSDKWGVAQAE-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14802103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.149

Distribution Coefficient, logD

4.149

Water Solubility, LogSw

-4.47

Polar Surface Area

47.764

Acid Dissociation Constant (pKa)

16.18

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C866-0016 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with C866-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C866-0016?
Check Price and Availability of C866-0016, 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 C866-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C866-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C866-0016
  • 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 C866-0016 available by request