G491-0048 Screening compound: methyl 3-(7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-amido)thiophene-2-carboxylate

G491-0048 Screening compound: methyl 3-(7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-amido)thiophene-2-carboxylate
G491-0048 Screening compound: methyl 3-(7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-amido)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G491-0048
methyl 3-(7,7-dimethyl-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

G491-0048

Molecular Formula

C18H18N2O5S (C18 H18 N2 O5 S)

Compound Name

methyl 3-(7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-amido)thiophene-2-carboxylate

IUPAC name

methyl 3-(77-dimethyl-25-dioxo-125678-hexahydroquinoline-3-amido)thiophene-2-carboxylate

SMILES

CC(C)(C1)CC(NC(C(C(Nc2c(C(OC)=O)scc2)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C18H18N2O5S/c1-18(2)7-12-9(13(21)8-18)6-10(16(23)20-12)15(22)19-11-4-5-26-14(11)17(24)25-3/h4-6H,7-8H2,1-3H3,(H,19,22)(H,20,23)

InChI Key

PJDWRZGXPHKESM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.870

Distribution Coefficient, logD

-1.721

Water Solubility, LogSw

-2.42

Polar Surface Area

82.920

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G491-0048 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G491-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G491-0048?
Check Price and Availability of G491-0048, 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 G491-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G491-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G491-0048
  • 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 G491-0048 available by request