C769-1010 Screening compound: 3,4-dimethylphenyl [4-(4-ethylpiperazino)-6-fluoro-3-quinolyl] sulfone

C769-1010 Screening compound: 3,4-dimethylphenyl [4-(4-ethylpiperazino)-6-fluoro-3-quinolyl] sulfone
C769-1010 Screening compound: 3,4-dimethylphenyl [4-(4-ethylpiperazino)-6-fluoro-3-quinolyl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-1010
3,4-dimethylphenyl [4-(4-ethylpiperazino)-6-fluoro-3-quinolyl] sulfone

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

C769-1010

Molecular Formula

C23H26FN3O2S (C23 H26 FN3 O2 S)

Compound Name

3,4-dimethylphenyl [4-(4-ethylpiperazino)-6-fluoro-3-quinolyl] sulfone

IUPAC name

3-(34-dimethylbenzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline

SMILES

CCN(CC1)CCN1c(c1cc(F)ccc1nc1)c1S(c1cc(C)c(C)cc1)(=O)=O

InChI

InChI=1S/C23H26FN3O2S/c1-4-26-9-11-27(12-10-26)23-20-14-18(24)6-8-21(20)25-15-22(23)30(28,29)19-7-5-16(2)17(3)13-19/h5-8,13-15H,4,9-12H2,1-3H3

InChI Key

NQZCPBKSHZHYDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

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

4.513

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.13

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

34.78

C769-1010 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C769-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-1010?
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What is the minimum amount of C769-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-1010
  • 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 C769-1010 available by request