3365-5534 Screening compound: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

3365-5534 Screening compound: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
3365-5534 Screening compound: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3365-5534
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

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

3365-5534

Molecular Formula

C29H29N3OS2 (C29 H29 N3 OS2)

Compound Name

N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

IUPAC name

N-[3-cyano-6-(2-methylbutan-2-yl)-4567-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

SMILES

CCC(C)(C)C(CC1)Cc2c1c(C#N)c(NC(c1cc(-c3ccc(C)s3)nc3ccccc13)=O)s2

InChI

InChI=1S/C29H29N3OS2/c1-5-29(3,4)18-11-12-20-22(16-30)28(35-26(20)14-18)32-27(33)21-15-24(25-13-10-17(2)34-25)31-23-9-7-6-8-19(21)23/h6-10,13,15,18H,5,11-12,14H2,1-4H3,(H,32,33)/t18-/m1/s1

InChI Key

SZNIFGKVCMBLDQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01352511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.937

Distribution Coefficient, logD

6.961

Water Solubility, LogSw

-5.94

Polar Surface Area

49.178

Acid Dissociation Constant (pKa)

6.47

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

3365-5534 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3365-5534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3365-5534?
Check Price and Availability of 3365-5534, 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 3365-5534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3365-5534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3365-5534
  • 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 3365-5534 available by request