C447-0279 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide

C447-0279 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
C447-0279 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-0279
N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-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

C447-0279

Molecular Formula

C27H28N4O4S (C27 H28 N4 O4 S)

Compound Name

N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide

IUPAC name

N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-23-dihydro-1H-isoindole-4-carboxamide

SMILES

O=C(c(cccc1CN2Cc3cnccc3)c1C2=O)Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C27H28N4O4S/c32-26(29-22-10-12-23(13-11-22)36(34,35)31-15-3-1-2-4-16-31)24-9-5-8-21-19-30(27(33)25(21)24)18-20-7-6-14-28-17-20/h5-14,17H,1-4,15-16,18-19H2,(H,29,32)

InChI Key

GHBDICJGRRBZPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.991

Distribution Coefficient, logD

2.970

Water Solubility, LogSw

-3.51

Polar Surface Area

81.536

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C447-0279 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C447-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-0279?
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What is the minimum amount of C447-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-0279
  • 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 C447-0279 available by request