L981-3763 Screening compound: 2-({3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

L981-3763 Screening compound: 2-({3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
L981-3763 Screening compound: 2-({3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-3763
2-({3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

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

L981-3763

Molecular Formula

C25H29N5O2S2 (C25 H29 N5 O2 S2)

Compound Name

2-({3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

IUPAC name

2-({3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

SMILES

COc(cc1)ccc1N(CC1)CCN1c1nccnc1SCC(NCc(cc1)ccc1SC)=O

InChI

InChI=1S/C25H29N5O2S2/c1-32-21-7-5-20(6-8-21)29-13-15-30(16-14-29)24-25(27-12-11-26-24)34-18-23(31)28-17-19-3-9-22(33-2)10-4-19/h3-12H,13-18H2,1-2H3,(H,28,31)

InChI Key

ATIMIWXYUVXICX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.18

Polar Surface Area

56.855

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L981-3763 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L981-3763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-3763?
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What is the minimum amount of L981-3763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-3763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-3763
  • 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 L981-3763 available by request