3360-9411 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide

3360-9411 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide
3360-9411 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3360-9411
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)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

3360-9411

Molecular Formula

C31H33N3O3S (C31 H33 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cccc(-c2nc3ccccc3c(C(Nc3c(C(N)=O)c(CCC(C4)C(C)(C)C)c4s3)=O)c2)c1

InChI

InChI=1S/C31H33N3O3S/c1-5-37-20-10-8-9-18(15-20)25-17-23(21-11-6-7-12-24(21)33-25)29(36)34-30-27(28(32)35)22-14-13-19(31(2,3)4)16-26(22)38-30/h6-12,15,17,19H,5,13-14,16H2,1-4H3,(H2,32,35)(H,34,36)/t19-/m1/s1

InChI Key

CQIFLICLKSXOOP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01922639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.412

Distribution Coefficient, logD

6.174

Water Solubility, LogSw

-5.92

Polar Surface Area

72.286

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

3360-9411 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3360-9411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3360-9411?
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What is the minimum amount of 3360-9411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3360-9411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3360-9411
  • 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 3360-9411 available by request