G539-1041 Screening compound: N-(3-chloro-4-fluorophenyl)-3-ethyl-7-(4-fluorophenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxamide

G539-1041 Screening compound: N-(3-chloro-4-fluorophenyl)-3-ethyl-7-(4-fluorophenyl)-2-methyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxamide
G539-1041 Screening compound: N-(3-chloro-4-fluorophenyl)-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 G539-1041
N-(3-chloro-4-fluorophenyl)-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

G539-1041

Molecular Formula

C23H21ClF2N2OS (C23 H21 ClF2 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(C)sc(C2c(cc3)ccc3F)c1CCN2C(Nc(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C23H21ClF2N2OS/c1-3-17-13(2)30-22-18(17)10-11-28(21(22)14-4-6-15(25)7-5-14)23(29)27-16-8-9-20(26)19(24)12-16/h4-9,12,21H,3,10-11H2,1-2H3,(H,27,29)/t21-/m1/s1

InChI Key

CGAIJMVRRAWDGP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15017463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.95

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.152

Distribution Coefficient, logD

7.152

Water Solubility, LogSw

-6.53

Polar Surface Area

25.700

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

G539-1041 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G539-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G539-1041?
Check Price and Availability of G539-1041, 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 G539-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G539-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G539-1041
  • 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 G539-1041 available by request