L053-0048 Screening compound: ethyl 3-{[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}-3-phenylpropanoate

L053-0048 Screening compound: ethyl 3-{[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}-3-phenylpropanoate
L053-0048 Screening compound: ethyl 3-{[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L053-0048
ethyl 3-{[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}-3-phenylpropanoate

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

L053-0048

Molecular Formula

C25H31N5O3 (C25 H31 N5 O3)

Compound Name

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

IUPAC name

ethyl 3-{[4-(1-ethyl-1H-13-benzodiazol-2-yl)piperazine-1-carbonyl]amino}-3-phenylpropanoate

SMILES

CCn1c(N(CC2)CCN2C(NC(CC(OCC)=O)c2ccccc2)=O)nc2c1cccc2

InChI

InChI=1S/C25H31N5O3/c1-3-30-22-13-9-8-12-20(22)26-24(30)28-14-16-29(17-15-28)25(32)27-21(18-23(31)33-4-2)19-10-6-5-7-11-19/h5-13,21H,3-4,14-18H2,1-2H3,(H,27,32)/t21-/m0/s1

InChI Key

HOUDUWFBXHBDQI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15116754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-4.09

Polar Surface Area

59.545

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

L053-0048 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with L053-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L053-0048?
Check Price and Availability of L053-0048, 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 L053-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L053-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L053-0048
  • 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 L053-0048 available by request