C769-0990 Screening compound: 3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline

C769-0990 Screening compound: 3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline
C769-0990 Screening compound: 3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0990
3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline

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

C769-0990

Molecular Formula

C21H22FN3O2S (C21 H22 FN3 O2 S)

Compound Name

3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline

IUPAC name

3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline

SMILES

CCN(CC1)CCN1c(c1cc(F)ccc1nc1)c1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C21H22FN3O2S/c1-2-24-10-12-25(13-11-24)21-18-14-16(22)8-9-19(18)23-15-20(21)28(26,27)17-6-4-3-5-7-17/h3-9,14-15H,2,10-13H2,1H3

InChI Key

MGSJURKIUUYOER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.071

Water Solubility, LogSw

-3.67

Polar Surface Area

44.979

Acid Dissociation Constant (pKa)

26.11

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C769-0990 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C769-0990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0990?
Check Price and Availability of C769-0990, 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 C769-0990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0990
  • 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 C769-0990 available by request