G539-1071F Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-7-(4-fluorophenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxamide

G539-1071F Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-7-(4-fluorophenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxamide
G539-1071F Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-7-(4-fluorophenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G539-1071F
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-7-(4-fluorophenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxamide

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

G539-1071F

Molecular Formula

C25H25FN2O3S (C25 H25 FN2 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-7-(4-fluorophenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-3-ethyl-7-(4-fluorophenyl)-2-methyl-4H5H6H7H-thieno[23-c]pyridine-6-carboxamide

SMILES

CCc1c(C)sc(C2c(cc3)ccc3F)c1CCN2C(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C25H25FN2O3S/c1-3-19-15(2)32-24-20(19)10-11-28(23(24)16-4-6-17(26)7-5-16)25(29)27-18-8-9-21-22(14-18)31-13-12-30-21/h4-9,14,23H,3,10-13H2,1-2H3,(H,27,29)/t23-/m1/s1

InChI Key

HGOMWRJZYWVIIN-HSZRJFAPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.395

Distribution Coefficient, logD

5.395

Water Solubility, LogSw

-5.40

Polar Surface Area

41.524

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with G539-1071F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G539-1071F?
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What is the minimum amount of G539-1071F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G539-1071F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G539-1071F
  • 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 G539-1071F available by request