8015-5137 Screening compound: ethyl 4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8015-5137 Screening compound: ethyl 4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8015-5137 Screening compound: ethyl 4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5137
ethyl 4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-methyl-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

8015-5137

Molecular Formula

C20H25NO4S (C20 H25 NO4 S)

Compound Name

ethyl 4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

ethyl 4-[5-(ethylsulfanyl)-2-methylfuran-3-yl]-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C1c2c(C)oc(SCC)c2)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C20H25NO4S/c1-5-24-20(23)17-11(3)21-14-8-7-9-15(22)19(14)18(17)13-10-16(26-6-2)25-12(13)4/h10,18,21H,5-9H2,1-4H3/t18-/m0/s1

InChI Key

WRXFHHJADZUOLX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03883583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.014

Distribution Coefficient, logD

0.077

Water Solubility, LogSw

-4.00

Polar Surface Area

53.221

Acid Dissociation Constant (pKa)

3.46

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8015-5137 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8015-5137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5137?
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What is the minimum amount of 8015-5137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5137
  • 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 8015-5137 available by request