3261-0449 Screening compound: 6-methyl-N-(naphthalen-1-yl)-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3261-0449 Screening compound: 6-methyl-N-(naphthalen-1-yl)-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3261-0449 Screening compound: 6-methyl-N-(naphthalen-1-yl)-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0449
6-methyl-N-(naphthalen-1-yl)-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-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

3261-0449

Molecular Formula

C23H24N2O2S (C23 H24 N2 O2 S)

Compound Name

6-methyl-N-(naphthalen-1-yl)-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

6-methyl-N-(naphthalen-1-yl)-2-propanamido-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CCC(Nc1c(C(Nc2cccc3ccccc23)=O)c(CCC(C)C2)c2s1)=O

InChI

InChI=1S/C23H24N2O2S/c1-3-20(26)25-23-21(17-12-11-14(2)13-19(17)28-23)22(27)24-18-10-6-8-15-7-4-5-9-16(15)18/h4-10,14H,3,11-13H2,1-2H3,(H,24,27)(H,25,26)/t14-/m1/s1

InChI Key

YBNAPKWABANKJM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01177008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.094

Distribution Coefficient, logD

4.959

Water Solubility, LogSw

-5.76

Polar Surface Area

45.225

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

3261-0449 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3261-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0449?
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What is the minimum amount of 3261-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0449
  • 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 3261-0449 available by request