L881-0449 Screening compound: 4-chloro-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-indol-3-yl]benzamide

L881-0449 Screening compound: 4-chloro-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-indol-3-yl]benzamide
L881-0449 Screening compound: 4-chloro-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-indol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L881-0449
4-chloro-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-indol-3-yl]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

L881-0449

Molecular Formula

C25H20ClN3O2 (C25 H20 ClN3 O2)

Compound Name

4-chloro-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-indol-3-yl]benzamide

IUPAC name

4-chloro-N-[2-(1234-tetrahydroisoquinoline-2-carbonyl)-1H-indol-3-yl]benzamide

SMILES

O=C(c([nH]c1c2cccc1)c2NC(c(cc1)ccc1Cl)=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C25H20ClN3O2/c26-19-11-9-17(10-12-19)24(30)28-22-20-7-3-4-8-21(20)27-23(22)25(31)29-14-13-16-5-1-2-6-18(16)15-29/h1-12,27H,13-15H2,(H,28,30)

InChI Key

NZBLADZGJZJFJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

3.922

Water Solubility, LogSw

-4.69

Polar Surface Area

48.364

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

L881-0449 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L881-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L881-0449?
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What is the minimum amount of L881-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L881-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L881-0449
  • 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 L881-0449 available by request