L879-0181 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-4-methyl-2-[2-(thiophen-2-yl)acetamido]pentanamide

L879-0181 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-4-methyl-2-[2-(thiophen-2-yl)acetamido]pentanamide
L879-0181 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-4-methyl-2-[2-(thiophen-2-yl)acetamido]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L879-0181
N-(1H-1,3-benzodiazol-2-yl)-4-methyl-2-[2-(thiophen-2-yl)acetamido]pentanamide

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

L879-0181

Molecular Formula

C19H22N4O2S (C19 H22 N4 O2 S)

Compound Name

N-(1H-1,3-benzodiazol-2-yl)-4-methyl-2-[2-(thiophen-2-yl)acetamido]pentanamide

IUPAC name

N-(1H-13-benzodiazol-2-yl)-4-methyl-2-[2-(thiophen-2-yl)acetamido]pentanamide

SMILES

CC(C)CC(C(Nc1nc(cccc2)c2[nH]1)=O)NC(Cc1cccs1)=O

InChI

InChI=1S/C19H22N4O2S/c1-12(2)10-16(20-17(24)11-13-6-5-9-26-13)18(25)23-19-21-14-7-3-4-8-15(14)22-19/h3-9,12,16H,10-11H2,1-2H3,(H,20,24)(H2,21,22,23,25)/t16-/m0/s1

InChI Key

YKGPHIQUBYLJEF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27483921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.715

Distribution Coefficient, logD

2.715

Water Solubility, LogSw

-3.22

Polar Surface Area

68.875

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

L879-0181 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Chelators targeting matrix metalloproteinases library (8930 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:
  • Antiviral
  • Infections
  • Immune system
  • 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

References: we are preparing a list of scientific research reports with L879-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L879-0181?
Check Price and Availability of L879-0181, 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 L879-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L879-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L879-0181
  • 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 L879-0181 available by request