L053-0245 Screening compound: 4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide

L053-0245 Screening compound: 4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
L053-0245 Screening compound: 4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L053-0245
4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-N-(2,4-dimethoxyphenyl)piperazine-1-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

L053-0245

Molecular Formula

C27H29N5O3 (C27 H29 N5 O3)

Compound Name

4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide

IUPAC name

4-(1-benzyl-1H-13-benzodiazol-2-yl)-N-(24-dimethoxyphenyl)piperazine-1-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(N(CC1)CCN1c1nc(cccc2)c2n1Cc1ccccc1)=O

InChI

InChI=1S/C27H29N5O3/c1-34-21-12-13-23(25(18-21)35-2)29-27(33)31-16-14-30(15-17-31)26-28-22-10-6-7-11-24(22)32(26)19-20-8-4-3-5-9-20/h3-13,18H,14-17,19H2,1-2H3,(H,29,33)

InChI Key

YTIBFEOUJLHQQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.166

Distribution Coefficient, logD

5.133

Water Solubility, LogSw

-5.11

Polar Surface Area

52.914

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

L053-0245 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L053-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L053-0245?
Check Price and Availability of L053-0245, 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 L053-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L053-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L053-0245
  • 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 L053-0245 available by request