L053-0226 Screening compound: ethyl 4-{[4-(1-benzyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}benzoate

L053-0226 Screening compound: ethyl 4-{[4-(1-benzyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}benzoate
L053-0226 Screening compound: ethyl 4-{[4-(1-benzyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L053-0226
ethyl 4-{[4-(1-benzyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}benzoate

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

L053-0226

Molecular Formula

C28H29N5O3 (C28 H29 N5 O3)

Compound Name

ethyl 4-{[4-(1-benzyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}benzoate

IUPAC name

ethyl 4-{[4-(1-benzyl-1H-13-benzodiazol-2-yl)piperazine-1-carbonyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CC1)CCN1c1nc(cccc2)c2n1Cc1ccccc1)=O)=O

InChI

InChI=1S/C28H29N5O3/c1-2-36-26(34)22-12-14-23(15-13-22)29-28(35)32-18-16-31(17-19-32)27-30-24-10-6-7-11-25(24)33(27)20-21-8-4-3-5-9-21/h3-15H,2,16-20H2,1H3,(H,29,35)

InChI Key

MIKYAILKGPQRKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.627

Distribution Coefficient, logD

5.594

Water Solubility, LogSw

-5.54

Polar Surface Area

59.191

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L053-0226 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L053-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L053-0226?
Check Price and Availability of L053-0226, 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 L053-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L053-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L053-0226
  • 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 L053-0226 available by request