M040-0610 Screening compound: 5-{[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]methyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

M040-0610 Screening compound: 5-{[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]methyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
M040-0610 Screening compound: 5-{[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]methyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0610
5-{[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]methyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

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

M040-0610

Molecular Formula

C20H12F3N3O3S (C20 H12 F3 N3 O3 S)

Compound Name

5-{[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]methyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-{[4-(2H-13-benzodioxol-5-yl)-13-thiazol-2-yl]methyl}-3-[4-(trifluoromethyl)phenyl]-124-oxadiazole

SMILES

FC(c(cc1)ccc1-c1noc(Cc2nc(-c(cc3)cc4c3OCO4)cs2)n1)(F)F

InChI

InChI=1S/C20H12F3N3O3S/c21-20(22,23)13-4-1-11(2-5-13)19-25-17(29-26-19)8-18-24-14(9-30-18)12-3-6-15-16(7-12)28-10-27-15/h1-7,9H,8,10H2

InChI Key

AEUJTBOJSNGIDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.190

Distribution Coefficient, logD

6.190

Water Solubility, LogSw

-6.29

Polar Surface Area

58.655

Acid Dissociation Constant (pKa)

35.28

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with M040-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0610?
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What is the minimum amount of M040-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0610
  • 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 M040-0610 available by request