C276-0500 Screening compound: 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroquinolin-2-one

C276-0500 Screening compound: 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroquinolin-2-one
C276-0500 Screening compound: 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0500
4-(5-bromo-2-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

C276-0500

Molecular Formula

C18H17BrFNO4 (C18 H17 BrFNO4)

Compound Name

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

IUPAC name

4-(5-bromo-2-fluorophenyl)-567-trimethoxy-1234-tetrahydroquinolin-2-one

SMILES

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

InChI

InChI=1S/C18H17BrFNO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)11(7-15(22)21-13)10-6-9(19)4-5-12(10)20/h4-6,8,11H,7H2,1-3H3,(H,21,22)/t11-/m0/s1

InChI Key

PWBKGPVHXOKOOE-NSHDSACASA-N

MDL Number (MFCD)

MFCD06008237

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

3.778

Distribution Coefficient, logD

3.777

Water Solubility, LogSw

-4.07

Polar Surface Area

47.852

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C276-0500 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C276-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0500?
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What is the minimum amount of C276-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0500
  • 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 C276-0500 available by request