C142-0019 Screening compound: 3-benzyl 6-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0019 Screening compound: 3-benzyl 6-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0019 Screening compound: 3-benzyl 6-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0019
3-benzyl 6-methyl 2,7-dimethyl-4-(5-methylfuran-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

C142-0019

Molecular Formula

C26H27NO6 (C26 H27 NO6)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1=C2C(c3ccc(C)o3)C(C(OCc3ccccc3)=O)=C(C)N1)C(C(OC)=O)C2=O

InChI

InChI=1S/C26H27NO6/c1-14-12-18-22(24(28)20(14)25(29)31-4)23(19-11-10-15(2)33-19)21(16(3)27-18)26(30)32-13-17-8-6-5-7-9-17/h5-11,14,20,23,27H,12-13H2,1-4H3

InChI Key

KPOQPJDISKDIJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05238810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

0.473

Water Solubility, LogSw

-4.52

Polar Surface Area

73.944

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.60

C142-0019 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C142-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C142-0019?
Check Price and Availability of C142-0019, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C142-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0019
  • 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 C142-0019 available by request