L981-0568 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

L981-0568 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide
L981-0568 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0568
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)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

L981-0568

Molecular Formula

C26H29N5O3S (C26 H29 N5 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-({3-[4-(23-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

SMILES

Cc1cccc(N(CC2)CCN2c2nccnc2SCC(Nc(cc2)cc3c2OCCO3)=O)c1C

InChI

InChI=1S/C26H29N5O3S/c1-18-4-3-5-21(19(18)2)30-10-12-31(13-11-30)25-26(28-9-8-27-25)35-17-24(32)29-20-6-7-22-23(16-20)34-15-14-33-22/h3-9,16H,10-15,17H2,1-2H3,(H,29,32)

InChI Key

XHOPVMDQHLZYPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.073

Distribution Coefficient, logD

4.073

Water Solubility, LogSw

-4.07

Polar Surface Area

63.511

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

L981-0568 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L981-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0568?
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What is the minimum amount of L981-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0568
  • 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 L981-0568 available by request