C276-0559 Screening compound: 4-(3-bromo-4-fluorophenyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroquinolin-2-one

C276-0559 Screening compound: 4-(3-bromo-4-fluorophenyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroquinolin-2-one
C276-0559 Screening compound: 4-(3-bromo-4-fluorophenyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0559
4-(3-bromo-4-fluorophenyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroquinolin-2-one

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

C276-0559

Molecular Formula

C18H17BrFNO4 (C18 H17 BrFNO4)

Compound Name

4-(3-bromo-4-fluorophenyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

4-(3-bromo-4-fluorophenyl)-567-trimethoxy-1234-tetrahydroquinolin-2-one

SMILES

COc(cc(c(C(C1)c(cc2)cc(Br)c2F)c2OC)NC1=O)c2OC

InChI

InChI=1S/C18H17BrFNO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)10(7-15(22)21-13)9-4-5-12(20)11(19)6-9/h4-6,8,10H,7H2,1-3H3,(H,21,22)/t10-/m0/s1

InChI Key

XVQONDQYMSMQRA-JTQLQIEISA-N

MDL Number (MFCD)

MFCD06754287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-3.70

Polar Surface Area

47.852

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C276-0559 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C276-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0559?
Check Price and Availability of C276-0559, 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 C276-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0559
  • 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 C276-0559 available by request