2859-0373 Screening compound: 1-(3-chloro-1-benzothiophene-2-carbonyl)-2,2,4,6-tetramethyl-1,2,3,4-tetrahydroquinoline

2859-0373 Screening compound: 1-(3-chloro-1-benzothiophene-2-carbonyl)-2,2,4,6-tetramethyl-1,2,3,4-tetrahydroquinoline
2859-0373 Screening compound: 1-(3-chloro-1-benzothiophene-2-carbonyl)-2,2,4,6-tetramethyl-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2859-0373
1-(3-chloro-1-benzothiophene-2-carbonyl)-2,2,4,6-tetramethyl-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

2859-0373

Molecular Formula

C22H22ClNOS (C22 H22 ClNOS)

Compound Name

1-(3-chloro-1-benzothiophene-2-carbonyl)-2,2,4,6-tetramethyl-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(3-chloro-1-benzothiophene-2-carbonyl)-2246-tetramethyl-1234-tetrahydroquinoline

SMILES

CC(CC1(C)C)c(cc(C)cc2)c2N1C(c(sc1c2cccc1)c2Cl)=O

InChI

InChI=1S/C22H22ClNOS/c1-13-9-10-17-16(11-13)14(2)12-22(3,4)24(17)21(25)20-19(23)15-7-5-6-8-18(15)26-20/h5-11,14H,12H2,1-4H3/t14-/m1/s1

InChI Key

FWZUHDUXDUMKSR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01796236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.94

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

6.223

Distribution Coefficient, logD

6.223

Water Solubility, LogSw

-6.27

Polar Surface Area

15.071

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

2859-0373 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2859-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2859-0373?
Check Price and Availability of 2859-0373, 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 2859-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2859-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2859-0373
  • 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 2859-0373 available by request