C737-0429 Screening compound: 1-(azepan-1-yl)-3-phenyl-2-(1H-pyrrol-1-yl)propan-1-one

C737-0429 Screening compound: 1-(azepan-1-yl)-3-phenyl-2-(1H-pyrrol-1-yl)propan-1-one
C737-0429 Screening compound: 1-(azepan-1-yl)-3-phenyl-2-(1H-pyrrol-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C737-0429
1-(azepan-1-yl)-3-phenyl-2-(1H-pyrrol-1-yl)propan-1-one

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

C737-0429

Molecular Formula

C19H24N2O (C19 H24 N2 O)

Compound Name

1-(azepan-1-yl)-3-phenyl-2-(1H-pyrrol-1-yl)propan-1-one

IUPAC name

1-(azepan-1-yl)-3-phenyl-2-(1H-pyrrol-1-yl)propan-1-one

SMILES

O=C(C(Cc1ccccc1)n1cccc1)N1CCCCCC1

InChI

InChI=1S/C19H24N2O/c22-19(21-14-6-1-2-7-15-21)18(20-12-8-9-13-20)16-17-10-4-3-5-11-17/h3-5,8-13,18H,1-2,6-7,14-16H2/t18-/m0/s1

InChI Key

SZYIAAQXOVZXAH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14790167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.11

Polar Surface Area

20.740

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

C737-0429 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C737-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C737-0429?
Check Price and Availability of C737-0429, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C737-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C737-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C737-0429
  • 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 C737-0429 available by request