4488-1549 Screening compound: N-[3-(azepane-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide

4488-1549 Screening compound: N-[3-(azepane-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide
4488-1549 Screening compound: N-[3-(azepane-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1549
N-[3-(azepane-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide

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

4488-1549

Molecular Formula

C24H30N2O2S (C24 H30 N2 O2 S)

Compound Name

N-[3-(azepane-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide

IUPAC name

N-[3-(azepane-1-carbonyl)-6-methyl-4567-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide

SMILES

CC(CC1)Cc2c1c(C(N1CCCCCC1)=O)c(NC(c1ccc(C)cc1)=O)s2

InChI

InChI=1S/C24H30N2O2S/c1-16-7-10-18(11-8-16)22(27)25-23-21(19-12-9-17(2)15-20(19)29-23)24(28)26-13-5-3-4-6-14-26/h7-8,10-11,17H,3-6,9,12-15H2,1-2H3,(H,25,27)/t17-/m1/s1

InChI Key

WCTMMTKBNFJUPH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01988920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.544

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-5.34

Polar Surface Area

40.024

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4488-1549 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 4488-1549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1549?
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What is the minimum amount of 4488-1549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1549
  • 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 4488-1549 available by request