8020-2716 Screening compound: methyl 3-methyl-4-isothiazolecarboxylate

8020-2716 Screening compound: methyl 3-methyl-4-isothiazolecarboxylate
8020-2716 Screening compound: methyl 3-methyl-4-isothiazolecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2716
methyl 3-methyl-4-isothiazolecarboxylate

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

8020-2716

Molecular Formula

C6H7NO2S (C6 H7 NO2 S)

Compound Name

methyl 3-methyl-4-isothiazolecarboxylate

IUPAC name

methyl 3-methyl-12-thiazole-4-carboxylate

SMILES

Cc1nscc1C(OC)=O

InChI

InChI=1S/C6H7NO2S/c1-4-5(3-10-7-4)6(8)9-2/h3H,1-2H3

InChI Key

WRMHNLBOWDEAGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11983402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

157.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.415

Distribution Coefficient, logD

1.415

Water Solubility, LogSw

-1.78

Polar Surface Area

32.219

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8020-2716 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-2716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2716?
Check Price and Availability of 8020-2716, 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 8020-2716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2716
  • 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 8020-2716 available by request