4473-0237 Screening compound: N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

4473-0237 Screening compound: N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
4473-0237 Screening compound: N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4473-0237
N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-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

4473-0237

Molecular Formula

C29H35N3O3S (C29 H35 N3 O3 S)

Compound Name

N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

IUPAC name

N-[3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4567-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N1CCN(Cc3ccccc3)CC1)=O)c(NC(c1ccco1)=O)s2

InChI

InChI=1S/C29H35N3O3S/c1-29(2,3)21-11-12-22-24(18-21)36-27(30-26(33)23-10-7-17-35-23)25(22)28(34)32-15-13-31(14-16-32)19-20-8-5-4-6-9-20/h4-10,17,21H,11-16,18-19H2,1-3H3,(H,30,33)/t21-/m1/s1

InChI Key

DEEIZHRAZZJSIX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03017336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.337

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-5.26

Polar Surface Area

51.812

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

4473-0237 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4473-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4473-0237?
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What is the minimum amount of 4473-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4473-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4473-0237
  • 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 4473-0237 available by request