G504-0091 Screening compound: 3,4-difluoro-N-[1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide

G504-0091 Screening compound: 3,4-difluoro-N-[1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide
G504-0091 Screening compound: 3,4-difluoro-N-[1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G504-0091
3,4-difluoro-N-[1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide

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

G504-0091

Molecular Formula

C23H20F2N2O3S (C23 H20 F2 N2 O3 S)

Compound Name

3,4-difluoro-N-[1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide

IUPAC name

34-difluoro-N-[1-(4-methylbenzenesulfonyl)-1234-tetrahydroquinolin-6-yl]benzamide

SMILES

Cc(cc1)ccc1S(N(CCC1)c(cc2)c1cc2NC(c(cc1)cc(F)c1F)=O)(=O)=O

InChI

InChI=1S/C23H20F2N2O3S/c1-15-4-8-19(9-5-15)31(29,30)27-12-2-3-16-13-18(7-11-22(16)27)26-23(28)17-6-10-20(24)21(25)14-17/h4-11,13-14H,2-3,12H2,1H3,(H,26,28)

InChI Key

ZXRPCNARVNQRND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08006720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.565

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.37

Polar Surface Area

54.482

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G504-0091 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G504-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G504-0091?
Check Price and Availability of G504-0091, 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 G504-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G504-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G504-0091
  • 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 G504-0091 available by request