3047-5007 Screening compound: ethyl 4-methyl-5-{[2-(trifluoromethyl)phenyl]carbamoyl}-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate

3047-5007 Screening compound: ethyl 4-methyl-5-{[2-(trifluoromethyl)phenyl]carbamoyl}-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate
3047-5007 Screening compound: ethyl 4-methyl-5-{[2-(trifluoromethyl)phenyl]carbamoyl}-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3047-5007
ethyl 4-methyl-5-{[2-(trifluoromethyl)phenyl]carbamoyl}-2-(3,4,5-trimethoxybenzamido)thiophene-3-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

3047-5007

Molecular Formula

C26H25F3N2O7S (C26 H25 F3 N2 O7 S)

Compound Name

ethyl 4-methyl-5-{[2-(trifluoromethyl)phenyl]carbamoyl}-2-(3,4,5-trimethoxybenzamido)thiophene-3-carboxylate

IUPAC name

ethyl 4-methyl-5-{[2-(trifluoromethyl)phenyl]carbamoyl}-2-(345-trimethoxybenzamido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2OC)cc(OC)c2OC)=O)sc(C(Nc2c(C(F)(F)F)cccc2)=O)c1C)=O

InChI

InChI=1S/C26H25F3N2O7S/c1-6-38-25(34)19-13(2)21(23(33)30-16-10-8-7-9-15(16)26(27,28)29)39-24(19)31-22(32)14-11-17(35-3)20(37-5)18(12-14)36-4/h7-12H,6H2,1-5H3,(H,30,33)(H,31,32)

InChI Key

NGUGOYQZURSIMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.744

Distribution Coefficient, logD

1.862

Water Solubility, LogSw

-4.64

Polar Surface Area

89.249

Acid Dissociation Constant (pKa)

4.52

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 3047-5007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3047-5007?
Check Price and Availability of 3047-5007, 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 3047-5007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3047-5007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3047-5007
  • 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 3047-5007 available by request