L981-1119 Screening compound: methyl 2-[2-({3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate

L981-1119 Screening compound: methyl 2-[2-({3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
L981-1119 Screening compound: methyl 2-[2-({3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-1119
methyl 2-[2-({3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]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

L981-1119

Molecular Formula

C25H27N5O4S (C25 H27 N5 O4 S)

Compound Name

methyl 2-[2-({3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 2-[2-({3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate

SMILES

COC(c(cccc1)c1NC(CSc1nccnc1N(CC1)CCN1c(cccc1)c1OC)=O)=O

InChI

InChI=1S/C25H27N5O4S/c1-33-21-10-6-5-9-20(21)29-13-15-30(16-14-29)23-24(27-12-11-26-23)35-17-22(31)28-19-8-4-3-7-18(19)25(32)34-2/h3-12H,13-17H2,1-2H3,(H,28,31)

InChI Key

RYLDCGNJDLIRHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-3.97

Polar Surface Area

75.795

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with L981-1119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-1119?
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What is the minimum amount of L981-1119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-1119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-1119
  • 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 L981-1119 available by request