L981-1121 Screening compound: methyl 3-[2-({3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate

L981-1121 Screening compound: methyl 3-[2-({3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
L981-1121 Screening compound: methyl 3-[2-({3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-1121
methyl 3-[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

L981-1121

Molecular Formula

C25H27N5O4S (C25 H27 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1cccc(NC(CSc2nccnc2N(CC2)CCN2c(cccc2)c2OC)=O)c1)=O

InChI

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

InChI Key

IMMLREDCMRUOFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137970

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

4.249

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.22

Polar Surface Area

76.492

Acid Dissociation Constant (pKa)

12.15

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 L981-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-1121?
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What is the minimum amount of L981-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-1121
  • 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 L981-1121 available by request