G504-0321 Screening compound: 2-chloro-6-fluoro-N-[1-(4-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide

G504-0321 Screening compound: 2-chloro-6-fluoro-N-[1-(4-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide
G504-0321 Screening compound: 2-chloro-6-fluoro-N-[1-(4-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G504-0321
2-chloro-6-fluoro-N-[1-(4-methoxybenzenesulfonyl)-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

G504-0321

Molecular Formula

C23H20ClFN2O4S (C23 H20 ClFN2 O4 S)

Compound Name

2-chloro-6-fluoro-N-[1-(4-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide

IUPAC name

2-chloro-6-fluoro-N-[1-(4-methoxybenzenesulfonyl)-1234-tetrahydroquinolin-6-yl]benzamide

SMILES

COc(cc1)ccc1S(N(CCC1)c(cc2)c1cc2NC(c(c(F)ccc1)c1Cl)=O)(=O)=O

InChI

InChI=1S/C23H20ClFN2O4S/c1-31-17-8-10-18(11-9-17)32(29,30)27-13-3-4-15-14-16(7-12-21(15)27)26-23(28)22-19(24)5-2-6-20(22)25/h2,5-12,14H,3-4,13H2,1H3,(H,26,28)

InChI Key

SINBNMQWNBMFHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09235911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

4.319

Water Solubility, LogSw

-4.78

Polar Surface Area

62.026

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G504-0321 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G504-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G504-0321?
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What is the minimum amount of G504-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G504-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G504-0321
  • 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 G504-0321 available by request