L053-0092 Screening compound: methyl 2-{[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}-4-methylbenzoate

L053-0092 Screening compound: methyl 2-{[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}-4-methylbenzoate
L053-0092 Screening compound: methyl 2-{[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}-4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L053-0092
methyl 2-{[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)piperazine-1-carbonyl]amino}-4-methylbenzoate

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

L053-0092

Molecular Formula

C23H27N5O3 (C23 H27 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(N(CC2)CCN2C(Nc(cc(C)cc2)c2C(OC)=O)=O)nc2c1cccc2

InChI

InChI=1S/C23H27N5O3/c1-4-28-20-8-6-5-7-18(20)24-22(28)26-11-13-27(14-12-26)23(30)25-19-15-16(2)9-10-17(19)21(29)31-3/h5-10,15H,4,11-14H2,1-3H3,(H,25,30)

InChI Key

XWCKUDVQFDYXDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.018

Water Solubility, LogSw

-4.03

Polar Surface Area

58.910

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L053-0092 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L053-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L053-0092?
Check Price and Availability of L053-0092, 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 L053-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L053-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L053-0092
  • 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 L053-0092 available by request