1630-0773 Screening compound: methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-0773 Screening compound: methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-0773 Screening compound: methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0773
methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-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

1630-0773

Molecular Formula

C19H23NO4 (C19 H23 NO4)

Compound Name

methyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

methyl 277-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c3ccc(C)o3)C(OC)=O)=C2C1=O

InChI

InChI=1S/C19H23NO4/c1-10-6-7-14(24-10)17-15(18(22)23-5)11(2)20-12-8-19(3,4)9-13(21)16(12)17/h6-7,17,20H,8-9H2,1-5H3/t17-/m0/s1

InChI Key

NUNWMAFEZAJIBX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00619424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

-1.244

Water Solubility, LogSw

-3.31

Polar Surface Area

53.188

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

1630-0773 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 1630-0773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0773?
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What is the minimum amount of 1630-0773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0773
  • 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 1630-0773 available by request