3261-0002 Screening compound: 2-(4-methylbenzamido)-N-(naphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3261-0002 Screening compound: 2-(4-methylbenzamido)-N-(naphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3261-0002 Screening compound: 2-(4-methylbenzamido)-N-(naphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0002
2-(4-methylbenzamido)-N-(naphthalen-1-yl)-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

3261-0002

Molecular Formula

C27H24N2O2S (C27 H24 N2 O2 S)

Compound Name

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

IUPAC name

2-(4-methylbenzamido)-N-(naphthalen-1-yl)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

Cc(cc1)ccc1C(Nc1c(C(Nc2cccc3ccccc23)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C27H24N2O2S/c1-17-13-15-19(16-14-17)25(30)29-27-24(21-10-4-5-12-23(21)32-27)26(31)28-22-11-6-8-18-7-2-3-9-20(18)22/h2-3,6-9,11,13-16H,4-5,10,12H2,1H3,(H,28,31)(H,29,30)

InChI Key

LJMUYCBLCSOJCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.57

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

6.232

Distribution Coefficient, logD

5.033

Water Solubility, LogSw

-6.67

Polar Surface Area

45.166

Acid Dissociation Constant (pKa)

6.23

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

3261-0002 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3261-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0002?
Check Price and Availability of 3261-0002, 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 3261-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0002
  • 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 3261-0002 available by request