L894-0074 Screening compound: 2-[(4-methylphenyl)sulfanyl]-3-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrazine

L894-0074 Screening compound: 2-[(4-methylphenyl)sulfanyl]-3-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrazine
L894-0074 Screening compound: 2-[(4-methylphenyl)sulfanyl]-3-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L894-0074
2-[(4-methylphenyl)sulfanyl]-3-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrazine

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

L894-0074

Molecular Formula

C22H29N5OS (C22 H29 N5 OS)

Compound Name

2-[(4-methylphenyl)sulfanyl]-3-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrazine

IUPAC name

2-[(4-methylphenyl)sulfanyl]-3-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrazine

SMILES

Cc(cc1)ccc1Sc1nccnc1N(CC1)CCC1C(N1CCN(C)CC1)=O

InChI

InChI=1S/C22H29N5OS/c1-17-3-5-19(6-4-17)29-21-20(23-9-10-24-21)26-11-7-18(8-12-26)22(28)27-15-13-25(2)14-16-27/h3-6,9-10,18H,7-8,11-16H2,1-2H3

InChI Key

CFNAGYHVGQMEJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.218

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.10

Polar Surface Area

41.704

Acid Dissociation Constant (pKa)

22.96

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L894-0074 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L894-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L894-0074?
Check Price and Availability of L894-0074, 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 L894-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L894-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L894-0074
  • 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 L894-0074 available by request