L277-0485 Screening compound: 1-methyl-2-({4-[(2-phenylethyl)carbamoyl]piperazin-1-yl}methyl)-N-(propan-2-yl)-1H-1,3-benzodiazole-5-carboxamide

L277-0485 Screening compound: 1-methyl-2-({4-[(2-phenylethyl)carbamoyl]piperazin-1-yl}methyl)-N-(propan-2-yl)-1H-1,3-benzodiazole-5-carboxamide
L277-0485 Screening compound: 1-methyl-2-({4-[(2-phenylethyl)carbamoyl]piperazin-1-yl}methyl)-N-(propan-2-yl)-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L277-0485
1-methyl-2-({4-[(2-phenylethyl)carbamoyl]piperazin-1-yl}methyl)-N-(propan-2-yl)-1H-1,3-benzodiazole-5-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

L277-0485

Molecular Formula

C26H34N6O2 (C26 H34 N6 O2)

Compound Name

1-methyl-2-({4-[(2-phenylethyl)carbamoyl]piperazin-1-yl}methyl)-N-(propan-2-yl)-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

1-methyl-2-({4-[(2-phenylethyl)carbamoyl]piperazin-1-yl}methyl)-N-(propan-2-yl)-1H-13-benzodiazole-5-carboxamide

SMILES

CC(C)NC(c(cc1)cc2c1n(C)c(CN(CC1)CCN1C(NCCc1ccccc1)=O)n2)=O

InChI

InChI=1S/C26H34N6O2/c1-19(2)28-25(33)21-9-10-23-22(17-21)29-24(30(23)3)18-31-13-15-32(16-14-31)26(34)27-12-11-20-7-5-4-6-8-20/h4-10,17,19H,11-16,18H2,1-3H3,(H,27,34)(H,28,33)

InChI Key

DAPPTDNZWNRLPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27239284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.218

Distribution Coefficient, logD

2.099

Water Solubility, LogSw

-3.04

Polar Surface Area

66.057

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

L277-0485 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

PLpro Library (6343 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L277-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L277-0485?
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What is the minimum amount of L277-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L277-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L277-0485
  • 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 L277-0485 available by request