C770-0162 Screening compound: 3-benzoyl-4-(4-ethylbenzenesulfonyl)-6-methylquinoline

C770-0162 Screening compound: 3-benzoyl-4-(4-ethylbenzenesulfonyl)-6-methylquinoline
C770-0162 Screening compound: 3-benzoyl-4-(4-ethylbenzenesulfonyl)-6-methylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C770-0162
3-benzoyl-4-(4-ethylbenzenesulfonyl)-6-methylquinoline

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

C770-0162

Molecular Formula

C25H21NO3S (C25 H21 NO3 S)

Compound Name

3-benzoyl-4-(4-ethylbenzenesulfonyl)-6-methylquinoline

IUPAC name

3-benzoyl-4-(4-ethylbenzenesulfonyl)-6-methylquinoline

SMILES

CCc(cc1)ccc1S(c(c1cc(C)ccc1nc1)c1C(c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C25H21NO3S/c1-3-18-10-12-20(13-11-18)30(28,29)25-21-15-17(2)9-14-23(21)26-16-22(25)24(27)19-7-5-4-6-8-19/h4-16H,3H2,1-2H3

InChI Key

KBHIQRDQFXECFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.781

Distribution Coefficient, logD

5.781

Water Solubility, LogSw

-5.42

Polar Surface Area

52.059

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C770-0162 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C770-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C770-0162?
Check Price and Availability of C770-0162, 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 C770-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C770-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C770-0162
  • 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 C770-0162 available by request