C769-0217 Screening compound: 4-(azepan-1-yl)-6-fluoro-3-(4-methylbenzenesulfonyl)quinoline

C769-0217 Screening compound: 4-(azepan-1-yl)-6-fluoro-3-(4-methylbenzenesulfonyl)quinoline
C769-0217 Screening compound: 4-(azepan-1-yl)-6-fluoro-3-(4-methylbenzenesulfonyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0217
4-(azepan-1-yl)-6-fluoro-3-(4-methylbenzenesulfonyl)quinoline

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

C769-0217

Molecular Formula

C22H23FN2O2S (C22 H23 FN2 O2 S)

Compound Name

4-(azepan-1-yl)-6-fluoro-3-(4-methylbenzenesulfonyl)quinoline

IUPAC name

4-(azepan-1-yl)-6-fluoro-3-(4-methylbenzenesulfonyl)quinoline

SMILES

Cc(cc1)ccc1S(c(cnc(c1c2)ccc2F)c1N1CCCCCC1)(=O)=O

InChI

InChI=1S/C22H23FN2O2S/c1-16-6-9-18(10-7-16)28(26,27)21-15-24-20-11-8-17(23)14-19(20)22(21)25-12-4-2-3-5-13-25/h6-11,14-15H,2-5,12-13H2,1H3

InChI Key

JSYNSODJKFQBHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.380

Distribution Coefficient, logD

5.380

Water Solubility, LogSw

-5.37

Polar Surface Area

41.773

Acid Dissociation Constant (pKa)

26.50

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C769-0217 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 C769-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0217?
Check Price and Availability of C769-0217, 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 C769-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0217
  • 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 C769-0217 available by request