C276-1582 Screening compound: methyl 4-[4-(methoxycarbonyl)phenyl]-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate

C276-1582 Screening compound: methyl 4-[4-(methoxycarbonyl)phenyl]-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
C276-1582 Screening compound: methyl 4-[4-(methoxycarbonyl)phenyl]-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1582
methyl 4-[4-(methoxycarbonyl)phenyl]-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate

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

C276-1582

Molecular Formula

C20H21NO6 (C20 H21 NO6)

Compound Name

methyl 4-[4-(methoxycarbonyl)phenyl]-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate

IUPAC name

methyl 4-[4-(methoxycarbonyl)phenyl]-7-methyl-25-dioxo-12345678-octahydroquinoline-6-carboxylate

SMILES

CC(CC(NC(C1)=O)=C2C1c(cc1)ccc1C(OC)=O)C(C(OC)=O)C2=O

InChI

InChI=1S/C20H21NO6/c1-10-8-14-17(18(23)16(10)20(25)27-3)13(9-15(22)21-14)11-4-6-12(7-5-11)19(24)26-2/h4-7,10,13,16H,8-9H2,1-3H3,(H,21,22)

InChI Key

SYHBDYUFZKQKFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07613434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.944

Distribution Coefficient, logD

1.253

Water Solubility, LogSw

-2.45

Polar Surface Area

80.253

Acid Dissociation Constant (pKa)

6.81

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

C276-1582 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 C276-1582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1582?
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What is the minimum amount of C276-1582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1582
  • 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 C276-1582 available by request