L277-0464 Screening compound: 2-({4-[(3-chloro-2-methylphenyl)carbamoyl]piperazin-1-yl}methyl)-1-methyl-N-(propan-2-yl)-1H-1,3-benzodiazole-5-carboxamide

L277-0464 Screening compound: 2-({4-[(3-chloro-2-methylphenyl)carbamoyl]piperazin-1-yl}methyl)-1-methyl-N-(propan-2-yl)-1H-1,3-benzodiazole-5-carboxamide
L277-0464 Screening compound: 2-({4-[(3-chloro-2-methylphenyl)carbamoyl]piperazin-1-yl}methyl)-1-methyl-N-(propan-2-yl)-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L277-0464
2-({4-[(3-chloro-2-methylphenyl)carbamoyl]piperazin-1-yl}methyl)-1-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

L277-0464

Molecular Formula

C25H31ClN6O2 (C25 H31 ClN6 O2)

Compound Name

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

IUPAC name

2-({4-[(3-chloro-2-methylphenyl)carbamoyl]piperazin-1-yl}methyl)-1-methyl-N-(propan-2-yl)-1H-13-benzodiazole-5-carboxamide

SMILES

CC(C)NC(c(cc1)cc2c1n(C)c(CN(CC1)CCN1C(Nc1cccc(Cl)c1C)=O)n2)=O

InChI

InChI=1S/C25H31ClN6O2/c1-16(2)27-24(33)18-8-9-22-21(14-18)28-23(30(22)4)15-31-10-12-32(13-11-31)25(34)29-20-7-5-6-19(26)17(20)3/h5-9,14,16H,10-13,15H2,1-4H3,(H,27,33)(H,29,34)

InChI Key

BKDYTBHLZXRMBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27239269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.74

Polar Surface Area

64.196

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L277-0464 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

PI3K-Targeted Library (17255 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L277-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L277-0464?
Check Price and Availability of L277-0464, 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 L277-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L277-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L277-0464
  • 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 L277-0464 available by request