L894-0037 Screening compound: ethyl 3-(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-amido)benzoate

L894-0037 Screening compound: ethyl 3-(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-amido)benzoate
L894-0037 Screening compound: ethyl 3-(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L894-0037
ethyl 3-(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-amido)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

L894-0037

Molecular Formula

C26H28N4O3S (C26 H28 N4 O3 S)

Compound Name

ethyl 3-(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-amido)benzoate

IUPAC name

ethyl 3-(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-amido)benzoate

SMILES

CCOC(c1cccc(NC(C(CC2)CCN2c2nccnc2Sc2ccc(C)cc2)=O)c1)=O

InChI

InChI=1S/C26H28N4O3S/c1-3-33-26(32)20-5-4-6-21(17-20)29-24(31)19-11-15-30(16-12-19)23-25(28-14-13-27-23)34-22-9-7-18(2)8-10-22/h4-10,13-14,17,19H,3,11-12,15-16H2,1-2H3,(H,29,31)

InChI Key

CNVYOTYWDJYDQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.580

Distribution Coefficient, logD

5.580

Water Solubility, LogSw

-5.35

Polar Surface Area

65.424

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

L894-0037 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L894-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L894-0037?
Check Price and Availability of L894-0037, 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 L894-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L894-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L894-0037
  • 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 L894-0037 available by request