L895-0194 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

L895-0194 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide
L895-0194 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L895-0194
N-[(2,5-dimethoxyphenyl)methyl]-1-{3-[(4-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

L895-0194

Molecular Formula

C26H30N4O3S (C26 H30 N4 O3 S)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

SMILES

Cc(cc1)ccc1Sc1nccnc1N(CCC1)CC1C(NCc(cc(cc1)OC)c1OC)=O

InChI

InChI=1S/C26H30N4O3S/c1-18-6-9-22(10-7-18)34-26-24(27-12-13-28-26)30-14-4-5-19(17-30)25(31)29-16-20-15-21(32-2)8-11-23(20)33-3/h6-13,15,19H,4-5,14,16-17H2,1-3H3,(H,29,31)/t19-/m0/s1

InChI Key

DVAUCKOGPUWYGN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15136619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.532

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.34

Polar Surface Area

61.100

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

L895-0194 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 L895-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L895-0194?
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What is the minimum amount of L895-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L895-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L895-0194
  • 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 L895-0194 available by request