L413-0483 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide

L413-0483 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
L413-0483 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L413-0483
4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]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

L413-0483

Molecular Formula

C27H25N3O2 (C27 H25 N3 O2)

Compound Name

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

IUPAC name

4-(1-acetyl-23-dihydro-1H-indol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide

SMILES

CC(N(CC1)c(cc2)c1cc2-c(cc1)ccc1C(NCCc1c[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C27H25N3O2/c1-18(31)30-15-13-22-16-21(10-11-26(22)30)19-6-8-20(9-7-19)27(32)28-14-12-23-17-29-25-5-3-2-4-24(23)25/h2-11,16-17,29H,12-15H2,1H3,(H,28,32)

InChI Key

WCXXUZKMYXTCFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.223

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.22

Polar Surface Area

50.511

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

L413-0483 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Indole Derivatives (10091 compounds)

Targeted Diversity Library (40567 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L413-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L413-0483?
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What is the minimum amount of L413-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L413-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L413-0483
  • 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 L413-0483 available by request