3366-7796 Screening compound: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide

3366-7796 Screening compound: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
3366-7796 Screening compound: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-7796
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)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

3366-7796

Molecular Formula

C30H29N3OS (C30 H29 N3 OS)

Compound Name

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide

IUPAC name

N-(6-tert-butyl-3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C#N)c(NC(c1cc(-c3cc(C)ccc3)nc3ccccc13)=O)s2

InChI

InChI=1S/C30H29N3OS/c1-18-8-7-9-19(14-18)26-16-23(21-10-5-6-11-25(21)32-26)28(34)33-29-24(17-31)22-13-12-20(30(2,3)4)15-27(22)35-29/h5-11,14,16,20H,12-13,15H2,1-4H3,(H,33,34)/t20-/m1/s1

InChI Key

JHKZSHSJTXMYPQ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01357872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.016

Distribution Coefficient, logD

7.061

Water Solubility, LogSw

-5.95

Polar Surface Area

48.160

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

3366-7796 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3366-7796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-7796?
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What is the minimum amount of 3366-7796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-7796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-7796
  • 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 3366-7796 available by request