3064-5090 Screening compound: ethyl 4-methyl-2-(thiophene-2-amido)-5-{[2-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate

3064-5090 Screening compound: ethyl 4-methyl-2-(thiophene-2-amido)-5-{[2-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate
3064-5090 Screening compound: ethyl 4-methyl-2-(thiophene-2-amido)-5-{[2-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3064-5090
ethyl 4-methyl-2-(thiophene-2-amido)-5-{[2-(trifluoromethyl)phenyl]carbamoyl}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

3064-5090

Molecular Formula

C21H17F3N2O4S2 (C21 H17 F3 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(c2cccs2)=O)sc(C(Nc2c(C(F)(F)F)cccc2)=O)c1C)=O

InChI

InChI=1S/C21H17F3N2O4S2/c1-3-30-20(29)15-11(2)16(32-19(15)26-17(27)14-9-6-10-31-14)18(28)25-13-8-5-4-7-12(13)21(22,23)24/h4-10H,3H2,1-2H3,(H,25,28)(H,26,27)

InChI Key

RHDCDXDSGHPTTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.876

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-4.66

Polar Surface Area

67.289

Acid Dissociation Constant (pKa)

3.90

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3064-5090 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3064-5090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3064-5090?
Check Price and Availability of 3064-5090, 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 3064-5090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3064-5090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3064-5090
  • 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 3064-5090 available by request