4130-3301 Screening compound: 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azepane

4130-3301 Screening compound: 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azepane
4130-3301 Screening compound: 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-3301
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azepane

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

4130-3301

Molecular Formula

C17H19ClN2O2 (C17 H19 ClN2 O2)

Compound Name

1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]azepane

IUPAC name

1-[3-(2-chlorophenyl)-5-methyl-12-oxazole-4-carbonyl]azepane

SMILES

Cc1c(C(N2CCCCCC2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C17H19ClN2O2/c1-12-15(17(21)20-10-6-2-3-7-11-20)16(19-22-12)13-8-4-5-9-14(13)18/h4-5,8-9H,2-3,6-7,10-11H2,1H3

InChI Key

PUDHYDXCEKSMFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01115753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.583

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-4.15

Polar Surface Area

39.178

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

4130-3301 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 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
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with 4130-3301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-3301?
Check Price and Availability of 4130-3301, 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 4130-3301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-3301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-3301
  • 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 4130-3301 available by request