L895-0054 Screening compound: 2-[3-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-3-[(4-methylphenyl)sulfanyl]pyrazine

L895-0054 Screening compound: 2-[3-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-3-[(4-methylphenyl)sulfanyl]pyrazine
L895-0054 Screening compound: 2-[3-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-3-[(4-methylphenyl)sulfanyl]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L895-0054
2-[3-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-3-[(4-methylphenyl)sulfanyl]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

L895-0054

Molecular Formula

C27H37N5OS (C27 H37 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1Sc1nccnc1N(CCC1)CC1C(N(CC1)CCN1C1CCCCC1)=O

InChI

InChI=1S/C27H37N5OS/c1-21-9-11-24(12-10-21)34-26-25(28-13-14-29-26)32-15-5-6-22(20-32)27(33)31-18-16-30(17-19-31)23-7-3-2-4-8-23/h9-14,22-23H,2-8,15-20H2,1H3/t22-/m0/s1

InChI Key

OWXFGVILXUYRQK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15136594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.848

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.51

Polar Surface Area

41.255

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.30

L895-0054 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with L895-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L895-0054?
Check Price and Availability of L895-0054, 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 L895-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L895-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L895-0054
  • 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 L895-0054 available by request