8019-5137 Screening compound: 3-(4-fluorophenyl)-5-oxo-7-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

8019-5137 Screening compound: 3-(4-fluorophenyl)-5-oxo-7-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
8019-5137 Screening compound: 3-(4-fluorophenyl)-5-oxo-7-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5137
3-(4-fluorophenyl)-5-oxo-7-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

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

8019-5137

Molecular Formula

C21H13F4NO3S (C21 H13 F4 NO3 S)

Compound Name

3-(4-fluorophenyl)-5-oxo-7-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

IUPAC name

3-(4-fluorophenyl)-5-oxo-7-[4-(trifluoromethyl)phenyl]-4H5H6H7H-thieno[32-b]pyridine-2-carboxylic acid

SMILES

OC(c(sc(C(C1)c2ccc(C(F)(F)F)cc2)c2NC1=O)c2-c(cc1)ccc1F)=O

InChI

InChI=1S/C21H13F4NO3S/c22-13-7-3-11(4-8-13)16-17-18(30-19(16)20(28)29)14(9-15(27)26-17)10-1-5-12(6-2-10)21(23,24)25/h1-8,14H,9H2,(H,26,27)(H,28,29)/t14-/m1/s1

InChI Key

SGEXJAMMPHHDDU-CQSZACIVSA-N

MDL Number (MFCD)

MFCD10038028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

2.649

Water Solubility, LogSw

-4.58

Polar Surface Area

51.691

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

8019-5137 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-5137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5137?
Check Price and Availability of 8019-5137, 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 8019-5137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5137
  • 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 8019-5137 available by request