D491-8317 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

D491-8317 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
D491-8317 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-8317
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole-3-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

D491-8317

Molecular Formula

C24H28N4O5 (C24 H28 N4 O5)

Compound Name

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(23-dihydro-14-benzodioxin-6-yl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-12-oxazole-3-carboxamide

SMILES

Cc1ccc(C(CNC(c2noc(-c(cc3)cc4c3OCCO4)c2)=O)N2CCN(C)CC2)o1

InChI

InChI=1S/C24H28N4O5/c1-16-3-5-20(32-16)19(28-9-7-27(2)8-10-28)15-25-24(29)18-14-22(33-26-18)17-4-6-21-23(13-17)31-12-11-30-21/h3-6,13-14,19H,7-12,15H2,1-2H3,(H,25,29)/t19-/m0/s1

InChI Key

ZHZXQUMYMMHENF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD12921789

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.946

Distribution Coefficient, logD

1.465

Water Solubility, LogSw

-2.53

Polar Surface Area

76.569

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

D491-8317 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D491-8317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-8317?
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What is the minimum amount of D491-8317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-8317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-8317
  • 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 D491-8317 available by request