L879-0136 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-3-methyl-2-[(3,4,5-triethoxyphenyl)formamido]butanamide

L879-0136 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-3-methyl-2-[(3,4,5-triethoxyphenyl)formamido]butanamide
L879-0136 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-3-methyl-2-[(3,4,5-triethoxyphenyl)formamido]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L879-0136
N-(1H-1,3-benzodiazol-2-yl)-3-methyl-2-[(3,4,5-triethoxyphenyl)formamido]butanamide

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

L879-0136

Molecular Formula

C25H32N4O5 (C25 H32 N4 O5)

Compound Name

N-(1H-1,3-benzodiazol-2-yl)-3-methyl-2-[(3,4,5-triethoxyphenyl)formamido]butanamide

IUPAC name

N-(1H-13-benzodiazol-2-yl)-3-methyl-2-[(345-triethoxyphenyl)formamido]butanamide

SMILES

CCOc1cc(C(NC(C(C)C)C(Nc2nc(cccc3)c3[nH]2)=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C25H32N4O5/c1-6-32-19-13-16(14-20(33-7-2)22(19)34-8-3)23(30)28-21(15(4)5)24(31)29-25-26-17-11-9-10-12-18(17)27-25/h9-15,21H,6-8H2,1-5H3,(H,28,30)(H2,26,27,29,31)/t21-/m0/s1

InChI Key

INKOQVBDXVHPDB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27483900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

3.427

Water Solubility, LogSw

-3.69

Polar Surface Area

89.509

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

L879-0136 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Proteases
  • Proteases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L879-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L879-0136?
Check Price and Availability of L879-0136, 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 L879-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L879-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L879-0136
  • 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 L879-0136 available by request