C142-0159 Screening compound: 6-methyl 3-propan-2-yl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0159 Screening compound: 6-methyl 3-propan-2-yl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0159 Screening compound: 6-methyl 3-propan-2-yl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0159
6-methyl 3-propan-2-yl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-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

C142-0159

Molecular Formula

C21H25NO5S (C21 H25 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(C(C1c2cccs2)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C21H25NO5S/c1-10(2)27-21(25)16-12(4)22-13-9-11(3)15(20(24)26-5)19(23)17(13)18(16)14-7-6-8-28-14/h6-8,10-11,15,18,22H,9H2,1-5H3

InChI Key

OXXABRSZRPTLBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

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

3.467

Distribution Coefficient, logD

-0.519

Water Solubility, LogSw

-3.69

Polar Surface Area

66.445

Acid Dissociation Constant (pKa)

3.41

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.60

C142-0159 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 C142-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C142-0159?
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What is the minimum amount of C142-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0159
  • 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 C142-0159 available by request