3366-3507 Screening compound: 2-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1,2,3,4-tetrahydroisoquinoline

3366-3507 Screening compound: 2-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1,2,3,4-tetrahydroisoquinoline
3366-3507 Screening compound: 2-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-3507
2-(3-chloro-6-methyl-1-benzothiophene-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

3366-3507

Molecular Formula

C19H16ClNOS (C19 H16 ClNOS)

Compound Name

2-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)-1234-tetrahydroisoquinoline

SMILES

Cc(cc1)cc2c1c(Cl)c(C(N(CC1)Cc3c1cccc3)=O)s2

InChI

InChI=1S/C19H16ClNOS/c1-12-6-7-15-16(10-12)23-18(17(15)20)19(22)21-9-8-13-4-2-3-5-14(13)11-21/h2-7,10H,8-9,11H2,1H3

InChI Key

JJGVLNKJCSNTOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01354678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.86

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.465

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.94

Polar Surface Area

17.295

Acid Dissociation Constant (pKa)

25.86

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3366-3507 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3366-3507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-3507?
Check Price and Availability of 3366-3507, 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 3366-3507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-3507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-3507
  • 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 3366-3507 available by request