4473-0323 Screening compound: 2-benzamido-6-tert-butyl-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4473-0323 Screening compound: 2-benzamido-6-tert-butyl-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4473-0323 Screening compound: 2-benzamido-6-tert-butyl-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4473-0323
2-benzamido-6-tert-butyl-N,N-dimethyl-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

4473-0323

Molecular Formula

C22H28N2O2S (C22 H28 N2 O2 S)

Compound Name

2-benzamido-6-tert-butyl-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-benzamido-6-tert-butyl-NN-dimethyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N(C)C)=O)c(NC(c1ccccc1)=O)s2

InChI

InChI=1S/C22H28N2O2S/c1-22(2,3)15-11-12-16-17(13-15)27-20(18(16)21(26)24(4)5)23-19(25)14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3,(H,23,25)/t15-/m1/s1

InChI Key

QEJMDZCXXZFBME-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03199301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.54

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

4.197

Distribution Coefficient, logD

1.556

Water Solubility, LogSw

-4.38

Polar Surface Area

39.045

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

4473-0323 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4473-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4473-0323?
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What is the minimum amount of 4473-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4473-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4473-0323
  • 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 4473-0323 available by request