L881-0280 Screening compound: 3-(4-chlorobenzamido)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide

L881-0280 Screening compound: 3-(4-chlorobenzamido)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide
L881-0280 Screening compound: 3-(4-chlorobenzamido)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L881-0280
3-(4-chlorobenzamido)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide

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

L881-0280

Molecular Formula

C25H26ClN5O2 (C25 H26 ClN5 O2)

Compound Name

3-(4-chlorobenzamido)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide

IUPAC name

3-(4-chlorobenzamido)-N-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-indole-2-carboxamide

SMILES

CCn1nc(C)c(CNC(c([nH]c2c3cc(C)cc2)c3NC(c(cc2)ccc2Cl)=O)=O)c1C

InChI

InChI=1S/C25H26ClN5O2/c1-5-31-16(4)20(15(3)30-31)13-27-25(33)23-22(19-12-14(2)6-11-21(19)28-23)29-24(32)17-7-9-18(26)10-8-17/h6-12,28H,5,13H2,1-4H3,(H,27,33)(H,29,32)

InChI Key

HJLUGJIVNFTYEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.574

Distribution Coefficient, logD

3.209

Water Solubility, LogSw

-4.12

Polar Surface Area

70.745

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

L881-0280 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L881-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L881-0280?
Check Price and Availability of L881-0280, 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 L881-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L881-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L881-0280
  • 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 L881-0280 available by request