8016-1197 Screening compound: 2-(ethylsulfanyl)ethyl 6-(2-furyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

8016-1197 Screening compound: 2-(ethylsulfanyl)ethyl 6-(2-furyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
8016-1197 Screening compound: 2-(ethylsulfanyl)ethyl 6-(2-furyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1197
2-(ethylsulfanyl)ethyl 6-(2-furyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-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

8016-1197

Molecular Formula

C18H21NO4S (C18 H21 NO4 S)

Compound Name

2-(ethylsulfanyl)ethyl 6-(2-furyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

2-(ethylsulfanyl)ethyl 6-(furan-2-yl)-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCSCCOC(c1c(C)c(C(CC(C2)c3ccco3)=O)c2[nH]1)=O

InChI

InChI=1S/C18H21NO4S/c1-3-24-8-7-23-18(21)17-11(2)16-13(19-17)9-12(10-14(16)20)15-5-4-6-22-15/h4-6,12,19H,3,7-10H2,1-2H3/t12-/m1/s1

InChI Key

KSAHKCYCWVYTPM-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD05260323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.153

Distribution Coefficient, logD

3.153

Water Solubility, LogSw

-3.18

Polar Surface Area

54.667

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

8016-1197 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8016-1197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1197?
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What is the minimum amount of 8016-1197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1197
  • 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 8016-1197 available by request