C216-0028 Screening compound: 4-[4-(benzyloxy)phenyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one

C216-0028 Screening compound: 4-[4-(benzyloxy)phenyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one
C216-0028 Screening compound: 4-[4-(benzyloxy)phenyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C216-0028
4-[4-(benzyloxy)phenyl]-6,7-dimethoxy-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

C216-0028

Molecular Formula

C24H23NO4 (C24 H23 NO4)

Compound Name

4-[4-(benzyloxy)phenyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

4-[4-(benzyloxy)phenyl]-67-dimethoxy-1234-tetrahydroquinolin-2-one

SMILES

COc(c(OC)c1)cc(C(C2)c(cc3)ccc3OCc3ccccc3)c1NC2=O

InChI

InChI=1S/C24H23NO4/c1-27-22-12-20-19(13-24(26)25-21(20)14-23(22)28-2)17-8-10-18(11-9-17)29-15-16-6-4-3-5-7-16/h3-12,14,19H,13,15H2,1-2H3,(H,25,26)/t19-/m1/s1

InChI Key

IVWIZPCIFDEDKA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04220345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-3.94

Polar Surface Area

47.276

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

C216-0028 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C216-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C216-0028?
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What is the minimum amount of C216-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C216-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C216-0028
  • 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 C216-0028 available by request