L279-0412 Screening compound: 2-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl](methyl)amino}methyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-carboxamide

L279-0412 Screening compound: 2-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl](methyl)amino}methyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-carboxamide
L279-0412 Screening compound: 2-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl](methyl)amino}methyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L279-0412
2-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl](methyl)amino}methyl)-1-ethyl-N,N-dimethyl-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

L279-0412

Molecular Formula

C23H27N5O4 (C23 H27 N5 O4)

Compound Name

2-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl](methyl)amino}methyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

2-({[(23-dihydro-14-benzodioxin-6-yl)carbamoyl](methyl)amino}methyl)-1-ethyl-NN-dimethyl-1H-13-benzodiazole-5-carboxamide

SMILES

CCn1c(ccc(C(N(C)C)=O)c2)c2nc1CN(C)C(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C23H27N5O4/c1-5-28-18-8-6-15(22(29)26(2)3)12-17(18)25-21(28)14-27(4)23(30)24-16-7-9-19-20(13-16)32-11-10-31-19/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,24,30)

InChI Key

MUUVXULSORZQFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27239477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.940

Distribution Coefficient, logD

0.940

Water Solubility, LogSw

-2.22

Polar Surface Area

67.935

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L279-0412 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L279-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L279-0412?
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What is the minimum amount of L279-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L279-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L279-0412
  • 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 L279-0412 available by request