L981-0281 Screening compound: methyl 4-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate

L981-0281 Screening compound: methyl 4-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
L981-0281 Screening compound: methyl 4-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0281
methyl 4-(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

L981-0281

Molecular Formula

C18H20N4O3S2 (C18 H20 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(CSc1nccnc1N1CCSCC1)=O)=O

InChI

InChI=1S/C18H20N4O3S2/c1-25-18(24)13-2-4-14(5-3-13)21-15(23)12-27-17-16(19-6-7-20-17)22-8-10-26-11-9-22/h2-7H,8-12H2,1H3,(H,21,23)

InChI Key

VMGIZEONBACKTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.857

Distribution Coefficient, logD

2.857

Water Solubility, LogSw

-3.48

Polar Surface Area

65.903

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L981-0281 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 L981-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0281?
Check Price and Availability of L981-0281, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L981-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0281
  • 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 L981-0281 available by request