3261-0335 Screening compound: 2-(2,2-dimethylpropanamido)-6-methyl-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3261-0335 Screening compound: 2-(2,2-dimethylpropanamido)-6-methyl-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3261-0335 Screening compound: 2-(2,2-dimethylpropanamido)-6-methyl-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0335
2-(2,2-dimethylpropanamido)-6-methyl-N-(2-methylphenyl)-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

3261-0335

Molecular Formula

C22H28N2O2S (C22 H28 N2 O2 S)

Compound Name

2-(2,2-dimethylpropanamido)-6-methyl-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-(22-dimethylpropanamido)-6-methyl-N-(2-methylphenyl)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C(Nc1c(C)cccc1)=O)c(NC(C(C)(C)C)=O)s2

InChI

InChI=1S/C22H28N2O2S/c1-13-10-11-15-17(12-13)27-20(24-21(26)22(3,4)5)18(15)19(25)23-16-9-7-6-8-14(16)2/h6-9,13H,10-12H2,1-5H3,(H,23,25)(H,24,26)/t13-/m1/s1

InChI Key

WOWCIWNSKSJRLX-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01926326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.54

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

5.060

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-4.72

Polar Surface Area

45.710

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

3261-0335 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3261-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0335?
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What is the minimum amount of 3261-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0335
  • 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 3261-0335 available by request