C770-0448 Screening compound: 3-(3,4-dimethylbenzoyl)-4-(3,4-dimethylbenzenesulfonyl)-6-methoxyquinoline

C770-0448 Screening compound: 3-(3,4-dimethylbenzoyl)-4-(3,4-dimethylbenzenesulfonyl)-6-methoxyquinoline
C770-0448 Screening compound: 3-(3,4-dimethylbenzoyl)-4-(3,4-dimethylbenzenesulfonyl)-6-methoxyquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C770-0448
3-(3,4-dimethylbenzoyl)-4-(3,4-dimethylbenzenesulfonyl)-6-methoxyquinoline

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

C770-0448

Molecular Formula

C27H25NO4S (C27 H25 NO4 S)

Compound Name

3-(3,4-dimethylbenzoyl)-4-(3,4-dimethylbenzenesulfonyl)-6-methoxyquinoline

IUPAC name

3-(34-dimethylbenzoyl)-4-(34-dimethylbenzenesulfonyl)-6-methoxyquinoline

SMILES

Cc(cc1)c(C)cc1C(c(cnc(c1c2)ccc2OC)c1S(c1cc(C)c(C)cc1)(=O)=O)=O

InChI

InChI=1S/C27H25NO4S/c1-16-6-8-20(12-18(16)3)26(29)24-15-28-25-11-9-21(32-5)14-23(25)27(24)33(30,31)22-10-7-17(2)19(4)13-22/h6-15H,1-5H3

InChI Key

ZJOSECCKIGVXEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

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

6.453

Distribution Coefficient, logD

6.453

Water Solubility, LogSw

-5.66

Polar Surface Area

59.602

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C770-0448 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C770-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C770-0448?
Check Price and Availability of C770-0448, 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 C770-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C770-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C770-0448
  • 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 C770-0448 available by request