L413-0564 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[(2,3-dimethoxyphenyl)methyl]benzamide

L413-0564 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[(2,3-dimethoxyphenyl)methyl]benzamide
L413-0564 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[(2,3-dimethoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L413-0564
4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[(2,3-dimethoxyphenyl)methyl]benzamide

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

L413-0564

Molecular Formula

C26H26N2O4 (C26 H26 N2 O4)

Compound Name

4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[(2,3-dimethoxyphenyl)methyl]benzamide

IUPAC name

4-(1-acetyl-23-dihydro-1H-indol-5-yl)-N-[(23-dimethoxyphenyl)methyl]benzamide

SMILES

CC(N(CC1)c(cc2)c1cc2-c(cc1)ccc1C(NCc(cccc1OC)c1OC)=O)=O

InChI

InChI=1S/C26H26N2O4/c1-17(29)28-14-13-21-15-20(11-12-23(21)28)18-7-9-19(10-8-18)26(30)27-16-22-5-4-6-24(31-2)25(22)32-3/h4-12,15H,13-14,16H2,1-3H3,(H,27,30)

InChI Key

BXCJROZFLDJOIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.079

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-4.30

Polar Surface Area

56.146

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

L413-0564 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L413-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L413-0564?
Check Price and Availability of L413-0564, 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 L413-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L413-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L413-0564
  • 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 L413-0564 available by request