L981-0495 Screening compound: N-(2,5-difluorophenyl)-2-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

L981-0495 Screening compound: N-(2,5-difluorophenyl)-2-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide
L981-0495 Screening compound: N-(2,5-difluorophenyl)-2-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0495
N-(2,5-difluorophenyl)-2-({3-[4-(2,5-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

L981-0495

Molecular Formula

C24H25F2N5OS (C24 H25 F2 N5 OS)

Compound Name

N-(2,5-difluorophenyl)-2-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

IUPAC name

N-(25-difluorophenyl)-2-({3-[4-(25-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

SMILES

Cc1cc(N(CC2)CCN2c2nccnc2SCC(Nc(cc(cc2)F)c2F)=O)c(C)cc1

InChI

InChI=1S/C24H25F2N5OS/c1-16-3-4-17(2)21(13-16)30-9-11-31(12-10-30)23-24(28-8-7-27-23)33-15-22(32)29-20-14-18(25)5-6-19(20)26/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,32)

InChI Key

LLTZAXXENBZDJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.302

Distribution Coefficient, logD

5.290

Water Solubility, LogSw

-5.30

Polar Surface Area

46.990

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

L981-0495 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 L981-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0495?
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What is the minimum amount of L981-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0495
  • 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 L981-0495 available by request