L981-0279 Screening compound: ethyl 2-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate

L981-0279 Screening compound: ethyl 2-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
L981-0279 Screening compound: ethyl 2-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0279
ethyl 2-(2-{[3-(thiomorpholin-4-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

L981-0279

Molecular Formula

C19H22N4O3S2 (C19 H22 N4 O3 S2)

Compound Name

ethyl 2-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc1nccnc1N1CCSCC1)=O)=O

InChI

InChI=1S/C19H22N4O3S2/c1-2-26-19(25)14-5-3-4-6-15(14)22-16(24)13-28-18-17(20-7-8-21-18)23-9-11-27-12-10-23/h3-8H,2,9-13H2,1H3,(H,22,24)

InChI Key

AJQLRAUULAUVNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

3.018

Water Solubility, LogSw

-3.49

Polar Surface Area

64.785

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

L981-0279 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 L981-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0279?
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What is the minimum amount of L981-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0279
  • 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 L981-0279 available by request