D491-4784 Screening compound: 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]-4-[2-(pyridin-2-yl)ethyl]piperazine

D491-4784 Screening compound: 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]-4-[2-(pyridin-2-yl)ethyl]piperazine
D491-4784 Screening compound: 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]-4-[2-(pyridin-2-yl)ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4784
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]-4-[2-(pyridin-2-yl)ethyl]piperazine

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

D491-4784

Molecular Formula

C23H24N4O4 (C23 H24 N4 O4)

Compound Name

1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]-4-[2-(pyridin-2-yl)ethyl]piperazine

IUPAC name

1-[5-(23-dihydro-14-benzodioxin-6-yl)-12-oxazole-3-carbonyl]-4-[2-(pyridin-2-yl)ethyl]piperazine

SMILES

O=C(c1noc(-c(cc2)cc3c2OCCO3)c1)N1CCN(CCc2ncccc2)CC1

InChI

InChI=1S/C23H24N4O4/c28-23(27-11-9-26(10-12-27)8-6-18-3-1-2-7-24-18)19-16-21(31-25-19)17-4-5-20-22(15-17)30-14-13-29-20/h1-5,7,15-16H,6,8-14H2

InChI Key

SGSCMBNZKUEDAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.620

Distribution Coefficient, logD

1.599

Water Solubility, LogSw

-1.89

Polar Surface Area

67.307

Acid Dissociation Constant (pKa)

27.72

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D491-4784 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D491-4784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4784?
Check Price and Availability of D491-4784, 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 D491-4784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4784
  • 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 D491-4784 available by request