E865-0405 Screening compound: 1-(4-methoxyphenyl)-4-methyl-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-one

E865-0405 Screening compound: 1-(4-methoxyphenyl)-4-methyl-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-one
E865-0405 Screening compound: 1-(4-methoxyphenyl)-4-methyl-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E865-0405
1-(4-methoxyphenyl)-4-methyl-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-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

E865-0405

Molecular Formula

C29H29N5O3 (C29 H29 N5 O3)

Compound Name

1-(4-methoxyphenyl)-4-methyl-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1H,2H,3H,4H-pyrrolo[3,4-b]indol-3-one

IUPAC name

1-(4-methoxyphenyl)-4-methyl-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1H2H3H4H-pyrrolo[34-b]indol-3-one

SMILES

Cn1c(C(N(CC(N(CC2)CCN2c2ncccc2)=O)C2c(cc3)ccc3OC)=O)c2c2c1cccc2

InChI

InChI=1S/C29H29N5O3/c1-31-23-8-4-3-7-22(23)26-27(20-10-12-21(37-2)13-11-20)34(29(36)28(26)31)19-25(35)33-17-15-32(16-18-33)24-9-5-6-14-30-24/h3-14,27H,15-19H2,1-2H3/t27-/m0/s1

InChI Key

PCESVADWYBDCBO-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14924522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.730

Water Solubility, LogSw

-4.02

Polar Surface Area

53.648

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

E865-0405 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E865-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E865-0405?
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What is the minimum amount of E865-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E865-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E865-0405
  • 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 E865-0405 available by request