F235-1172 Screening compound: ethyl 2-(4-fluorobenzamido)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

F235-1172 Screening compound: ethyl 2-(4-fluorobenzamido)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate
F235-1172 Screening compound: ethyl 2-(4-fluorobenzamido)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1172
ethyl 2-(4-fluorobenzamido)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-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

F235-1172

Molecular Formula

C19H20FNO4S (C19 H20 FNO4 S)

Compound Name

ethyl 2-(4-fluorobenzamido)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

IUPAC name

ethyl 2-(4-fluorobenzamido)-55-dimethyl-4H5H7H-thieno[23-c]pyran-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2F)=O)sc2c1CC(C)(C)OC2)=O

InChI

InChI=1S/C19H20FNO4S/c1-4-24-18(23)15-13-9-19(2,3)25-10-14(13)26-17(15)21-16(22)11-5-7-12(20)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,21,22)

InChI Key

MEWJGRBMOKPJSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01466228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.012

Distribution Coefficient, logD

-0.583

Water Solubility, LogSw

-4.38

Polar Surface Area

51.495

Acid Dissociation Constant (pKa)

2.81

Base Dissociation Constant (pKb)

-6.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with F235-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1172?
Check Price and Availability of F235-1172, 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 F235-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1172
  • 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 F235-1172 available by request