C770-0639 Screening compound: 3-(3,4-dimethylbenzoyl)-6-fluoro-4-(4-methoxybenzenesulfonyl)quinoline

C770-0639 Screening compound: 3-(3,4-dimethylbenzoyl)-6-fluoro-4-(4-methoxybenzenesulfonyl)quinoline
C770-0639 Screening compound: 3-(3,4-dimethylbenzoyl)-6-fluoro-4-(4-methoxybenzenesulfonyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C770-0639
3-(3,4-dimethylbenzoyl)-6-fluoro-4-(4-methoxybenzenesulfonyl)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

C770-0639

Molecular Formula

C25H20FNO4S (C25 H20 FNO4 S)

Compound Name

3-(3,4-dimethylbenzoyl)-6-fluoro-4-(4-methoxybenzenesulfonyl)quinoline

IUPAC name

3-(34-dimethylbenzoyl)-6-fluoro-4-(4-methoxybenzenesulfonyl)quinoline

SMILES

Cc(cc1)c(C)cc1C(c(cnc(c1c2)ccc2F)c1S(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C25H20FNO4S/c1-15-4-5-17(12-16(15)2)24(28)22-14-27-23-11-6-18(26)13-21(23)25(22)32(29,30)20-9-7-19(31-3)8-10-20/h4-14H,1-3H3

InChI Key

LQSMYSWGZZVURV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.587

Distribution Coefficient, logD

5.587

Water Solubility, LogSw

-5.50

Polar Surface Area

59.602

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C770-0639 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 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 C770-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C770-0639?
Check Price and Availability of C770-0639, 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 C770-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C770-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C770-0639
  • 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 C770-0639 available by request