L895-0767 Screening compound: N-[(3,4-dimethylphenyl)methyl]-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

L895-0767 Screening compound: N-[(3,4-dimethylphenyl)methyl]-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide
L895-0767 Screening compound: N-[(3,4-dimethylphenyl)methyl]-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L895-0767
N-[(3,4-dimethylphenyl)methyl]-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

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

L895-0767

Molecular Formula

C26H30N4OS (C26 H30 N4 OS)

Compound Name

N-[(3,4-dimethylphenyl)methyl]-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

IUPAC name

N-[(34-dimethylphenyl)methyl]-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

SMILES

Cc1cccc(Sc2nccnc2N(CCC2)CC2C(NCc2cc(C)c(C)cc2)=O)c1

InChI

InChI=1S/C26H30N4OS/c1-18-6-4-8-23(14-18)32-26-24(27-11-12-28-26)30-13-5-7-22(17-30)25(31)29-16-21-10-9-19(2)20(3)15-21/h4,6,8-12,14-15,22H,5,7,13,16-17H2,1-3H3,(H,29,31)/t22-/m0/s1

InChI Key

IVAQJWJVCJMHPN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27484937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.183

Distribution Coefficient, logD

5.183

Water Solubility, LogSw

-4.92

Polar Surface Area

45.926

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

L895-0767 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L895-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L895-0767?
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What is the minimum amount of L895-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L895-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L895-0767
  • 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 L895-0767 available by request