L796-0087 Screening compound: 1-[5-(benzenesulfonyl)thiophene-2-carbonyl]-1,2,3,4-tetrahydroquinoline

L796-0087 Screening compound: 1-[5-(benzenesulfonyl)thiophene-2-carbonyl]-1,2,3,4-tetrahydroquinoline
L796-0087 Screening compound: 1-[5-(benzenesulfonyl)thiophene-2-carbonyl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound L796-0087
1-[5-(benzenesulfonyl)thiophene-2-carbonyl]-1,2,3,4-tetrahydroquinoline

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

L796-0087

Molecular Formula

C20H17NO3S2 (C20 H17 NO3 S2)

Compound Name

1-[5-(benzenesulfonyl)thiophene-2-carbonyl]-1,2,3,4-tetrahydroquinoline

IUPAC name

1-[5-(benzenesulfonyl)thiophene-2-carbonyl]-1234-tetrahydroquinoline

SMILES

O=C(c(s1)ccc1S(c1ccccc1)(=O)=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C20H17NO3S2/c22-20(21-14-6-8-15-7-4-5-11-17(15)21)18-12-13-19(25-18)26(23,24)16-9-2-1-3-10-16/h1-5,7,9-13H,6,8,14H2

InChI Key

MBEACCCYLXQYOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.435

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.37

Polar Surface Area

46.070

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

L796-0087 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L796-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L796-0087?
Check Price and Availability of L796-0087, 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 L796-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L796-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L796-0087
  • 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 L796-0087 available by request