3607-5696 Screening compound: benzyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3607-5696 Screening compound: benzyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3607-5696 Screening compound: benzyl 2-methyl-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 3607-5696
benzyl 2-methyl-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

3607-5696

Molecular Formula

C23H23NO4 (C23 H23 NO4)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C2C(C(CCC3)=O)=C3NC(C)=C2C(OCc2ccccc2)=O)o1

InChI

InChI=1S/C23H23NO4/c1-14-11-12-19(28-14)22-20(23(26)27-13-16-7-4-3-5-8-16)15(2)24-17-9-6-10-18(25)21(17)22/h3-5,7-8,11-12,22,24H,6,9-10,13H2,1-2H3/t22-/m0/s1

InChI Key

JIRWHLZNTWYTFG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00771231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.104

Distribution Coefficient, logD

0.313

Water Solubility, LogSw

-4.54

Polar Surface Area

52.871

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

3607-5696 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3607-5696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3607-5696?
Check Price and Availability of 3607-5696, 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 3607-5696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3607-5696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3607-5696
  • 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 3607-5696 available by request