G491-0643 Screening compound: methyl 3-[7-(furan-2-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-amido]thiophene-2-carboxylate

G491-0643 Screening compound: methyl 3-[7-(furan-2-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-amido]thiophene-2-carboxylate
G491-0643 Screening compound: methyl 3-[7-(furan-2-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-amido]thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G491-0643
methyl 3-[7-(furan-2-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-amido]thiophene-2-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

G491-0643

Molecular Formula

C20H16N2O6S (C20 H16 N2 O6 S)

Compound Name

methyl 3-[7-(furan-2-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-amido]thiophene-2-carboxylate

IUPAC name

methyl 3-[7-(furan-2-yl)-25-dioxo-125678-hexahydroquinoline-3-amido]thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(C1=CC(C(CC(C2)c3ccco3)=O)=C2NC1=O)=O)=O

InChI

InChI=1S/C20H16N2O6S/c1-27-20(26)17-13(4-6-29-17)21-18(24)12-9-11-14(22-19(12)25)7-10(8-15(11)23)16-3-2-5-28-16/h2-6,9-10H,7-8H2,1H3,(H,21,24)(H,22,25)/t10-/m0/s1

InChI Key

PQKQILLHNJQSKX-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.185

Distribution Coefficient, logD

-1.465

Water Solubility, LogSw

-2.77

Polar Surface Area

91.227

Acid Dissociation Constant (pKa)

3.75

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with G491-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G491-0643?
Check Price and Availability of G491-0643, 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 G491-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G491-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G491-0643
  • 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 G491-0643 available by request