C142-0052 Screening compound: 3-cyclopentyl 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0052 Screening compound: 3-cyclopentyl 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0052 Screening compound: 3-cyclopentyl 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0052
3-cyclopentyl 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

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

C142-0052

Molecular Formula

C24H29NO5S (C24 H29 NO5 S)

Compound Name

3-cyclopentyl 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

3-cyclopentyl 6-methyl 27-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CC(CC1=C2C(c3ccc(C)s3)C(C(OC3CCCC3)=O)=C(C)N1)C(C(OC)=O)C2=O

InChI

InChI=1S/C24H29NO5S/c1-12-11-16-20(22(26)18(12)23(27)29-4)21(17-10-9-13(2)31-17)19(14(3)25-16)24(28)30-15-7-5-6-8-15/h9-10,12,15,18,21,25H,5-8,11H2,1-4H3

InChI Key

SWHITKPZRGUPDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04226229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.500

Distribution Coefficient, logD

0.513

Water Solubility, LogSw

-4.27

Polar Surface Area

66.462

Acid Dissociation Constant (pKa)

3.41

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

54.20

C142-0052 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C142-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C142-0052?
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What is the minimum amount of C142-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0052
  • 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 C142-0052 available by request