C276-1166 Screening compound: 4-(4-chlorophenyl)-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-1166 Screening compound: 4-(4-chlorophenyl)-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-1166 Screening compound: 4-(4-chlorophenyl)-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1166
4-(4-chlorophenyl)-7-(thiophen-2-yl)-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

C276-1166

Molecular Formula

C19H16ClNO2S (C19 H16 ClNO2 S)

Compound Name

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

IUPAC name

4-(4-chlorophenyl)-7-(thiophen-2-yl)-12345678-octahydroquinoline-25-dione

SMILES

O=C(CC(C1)c2cccs2)C(C(C2)c(cc3)ccc3Cl)=C1NC2=O

InChI

InChI=1S/C19H16ClNO2S/c20-13-5-3-11(4-6-13)14-10-18(23)21-15-8-12(9-16(22)19(14)15)17-2-1-7-24-17/h1-7,12,14H,8-10H2,(H,21,23)

InChI Key

IULQJSLODVDDNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05238799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.695

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-4.46

Polar Surface Area

38.753

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

C276-1166 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C276-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1166?
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What is the minimum amount of C276-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1166
  • 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 C276-1166 available by request