C276-1459 Screening compound: 7-(2-chlorophenyl)-4-(2-ethoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-1459 Screening compound: 7-(2-chlorophenyl)-4-(2-ethoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-1459 Screening compound: 7-(2-chlorophenyl)-4-(2-ethoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1459
7-(2-chlorophenyl)-4-(2-ethoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

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

C276-1459

Molecular Formula

C23H22ClNO3 (C23 H22 ClNO3)

Compound Name

7-(2-chlorophenyl)-4-(2-ethoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

7-(2-chlorophenyl)-4-(2-ethoxyphenyl)-12345678-octahydroquinoline-25-dione

SMILES

CCOc1c(C(C2)C(C(CC(C3)c(cccc4)c4Cl)=O)=C3NC2=O)cccc1

InChI

InChI=1S/C23H22ClNO3/c1-2-28-21-10-6-4-8-16(21)17-13-22(27)25-19-11-14(12-20(26)23(17)19)15-7-3-5-9-18(15)24/h3-10,14,17H,2,11-13H2,1H3,(H,25,27)

InChI Key

YXPCUTASEUXWOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07613337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.645

Distribution Coefficient, logD

3.381

Water Solubility, LogSw

-4.64

Polar Surface Area

44.945

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.40

C276-1459 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C276-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1459?
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What is the minimum amount of C276-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1459
  • 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 C276-1459 available by request