C216-0045 Screening compound: 6,7-dimethoxy-4-(5-methylthiophen-2-yl)-1,2,3,4-tetrahydroquinolin-2-one

C216-0045 Screening compound: 6,7-dimethoxy-4-(5-methylthiophen-2-yl)-1,2,3,4-tetrahydroquinolin-2-one
C216-0045 Screening compound: 6,7-dimethoxy-4-(5-methylthiophen-2-yl)-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C216-0045
6,7-dimethoxy-4-(5-methylthiophen-2-yl)-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

C216-0045

Molecular Formula

C16H17NO3S (C16 H17 NO3 S)

Compound Name

6,7-dimethoxy-4-(5-methylthiophen-2-yl)-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

67-dimethoxy-4-(5-methylthiophen-2-yl)-1234-tetrahydroquinolin-2-one

SMILES

Cc1ccc(C(C2)c(cc(c(OC)c3)OC)c3NC2=O)s1

InChI

InChI=1S/C16H17NO3S/c1-9-4-5-15(21-9)11-7-16(18)17-12-8-14(20-3)13(19-2)6-10(11)12/h4-6,8,11H,7H2,1-3H3,(H,17,18)/t11-/m1/s1

InChI Key

ZXYPJMJVUVUBMT-LLVKDONJSA-N

MDL Number (MFCD)

MFCD04220161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.608

Distribution Coefficient, logD

2.608

Water Solubility, LogSw

-3.11

Polar Surface Area

41.067

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

C216-0045 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C216-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C216-0045?
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What is the minimum amount of C216-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C216-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C216-0045
  • 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 C216-0045 available by request