8016-5269 Screening compound: methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl][2-(trifluoromethyl)phenyl]methyl}-2-methyl-3-thiophenecarboxylate

8016-5269 Screening compound: methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl][2-(trifluoromethyl)phenyl]methyl}-2-methyl-3-thiophenecarboxylate
8016-5269 Screening compound: methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl][2-(trifluoromethyl)phenyl]methyl}-2-methyl-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5269
methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl][2-(trifluoromethyl)phenyl]methyl}-2-methyl-3-thiophenecarboxylate

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

8016-5269

Molecular Formula

C22H19F3O6S2 (C22 H19 F3 O6 S2)

Compound Name

methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl][2-(trifluoromethyl)phenyl]methyl}-2-methyl-3-thiophenecarboxylate

IUPAC name

methyl 4-hydroxy-5-{[3-hydroxy-4-(methoxycarbonyl)-5-methylthiophen-2-yl][2-(trifluoromethyl)phenyl]methyl}-2-methylthiophene-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(O)c(C(c(sc(C)c2C(OC)=O)c2O)c2c(C(F)(F)F)cccc2)s1

InChI

InChI=1S/C22H19F3O6S2/c1-9-13(20(28)30-3)16(26)18(32-9)15(11-7-5-6-8-12(11)22(23,24)25)19-17(27)14(10(2)33-19)21(29)31-4/h5-8,15,26-27H,1-4H3

InChI Key

HXEMWASJMNQBTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.145

Distribution Coefficient, logD

6.145

Water Solubility, LogSw

-5.59

Polar Surface Area

75.038

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with 8016-5269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5269?
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What is the minimum amount of 8016-5269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5269
  • 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 8016-5269 available by request