L796-0479 Screening compound: 2-[5-(4-methylbenzenesulfonyl)thiophene-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

L796-0479 Screening compound: 2-[5-(4-methylbenzenesulfonyl)thiophene-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
L796-0479 Screening compound: 2-[5-(4-methylbenzenesulfonyl)thiophene-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound L796-0479
2-[5-(4-methylbenzenesulfonyl)thiophene-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

L796-0479

Molecular Formula

C21H19NO3S2 (C21 H19 NO3 S2)

Compound Name

2-[5-(4-methylbenzenesulfonyl)thiophene-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[5-(4-methylbenzenesulfonyl)thiophene-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

Cc(cc1)ccc1S(c1ccc(C(N(CC2)Cc3c2cccc3)=O)s1)(=O)=O

InChI

InChI=1S/C21H19NO3S2/c1-15-6-8-18(9-7-15)27(24,25)20-11-10-19(26-20)21(23)22-13-12-16-4-2-3-5-17(16)14-22/h2-11H,12-14H2,1H3

InChI Key

KCEQGXLZHXFNEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

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

4.645

Distribution Coefficient, logD

4.645

Water Solubility, LogSw

-4.29

Polar Surface Area

47.068

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L796-0479 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L796-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L796-0479?
Check Price and Availability of L796-0479, 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 L796-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L796-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L796-0479
  • 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 L796-0479 available by request