8015-2832 Screening compound: methyl (2E,5S)-5-methyl-1-oxo-2-[4-(trifluoromethyl)benzylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate

8015-2832 Screening compound: methyl (2E,5S)-5-methyl-1-oxo-2-[4-(trifluoromethyl)benzylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
8015-2832 Screening compound: methyl (2E,5S)-5-methyl-1-oxo-2-[4-(trifluoromethyl)benzylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2832
methyl (2E,5S)-5-methyl-1-oxo-2-[4-(trifluoromethyl)benzylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate

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

8015-2832

Molecular Formula

C23H17F3N2O4S (C23 H17 F3 N2 O4 S)

Compound Name

methyl (2E,5S)-5-methyl-1-oxo-2-[4-(trifluoromethyl)benzylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate

IUPAC name

methyl (9S13E)-9-methyl-14-oxo-13-{[4-(trifluoromethyl)phenyl]methylidene}-8-oxa-12-thia-1015-diazatetracyclo[7.6.1.0^{27}.0^{1115}]hexadeca-24610-tetraene-16-carboxylate

SMILES

CC(C(C1N2C3=O)C(OC)=O)(N=C2S/C3=C/c2ccc(C(F)(F)F)cc2)Oc2c1cccc2

InChI

InChI=1S/C23H17F3N2O4S/c1-22-17(20(30)31-2)18(14-5-3-4-6-15(14)32-22)28-19(29)16(33-21(28)27-22)11-12-7-9-13(10-8-12)23(24,25)26/h3-11,17-18H,1-2H3/t17?,18?,22-/m0/s1

InChI Key

VUAAVCRHCIHOHE-IRZJEQJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

4.425

Water Solubility, LogSw

-4.62

Polar Surface Area

54.566

Acid Dissociation Constant (pKa)

21.36

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

26.09

References: we are preparing a list of scientific research reports with 8015-2832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2832?
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What is the minimum amount of 8015-2832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2832
  • 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 8015-2832 available by request