8019-4420 Screening compound: 5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-[(pyrrolidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole

8019-4420 Screening compound: 5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-[(pyrrolidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole
8019-4420 Screening compound: 5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-[(pyrrolidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4420
5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-[(pyrrolidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole

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

8019-4420

Molecular Formula

C18H24N2O5 (C18 H24 N2 O5)

Compound Name

5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-[(pyrrolidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole

IUPAC name

5-[(47-dimethoxy-2H-13-benzodioxol-5-yl)methyl]-3-[(pyrrolidin-1-yl)methyl]-45-dihydro-12-oxazole

SMILES

COc(c1c2OCO1)cc(CC1ON=C(CN3CCCC3)C1)c2OC

InChI

InChI=1S/C18H24N2O5/c1-21-15-8-12(16(22-2)18-17(15)23-11-24-18)7-14-9-13(19-25-14)10-20-5-3-4-6-20/h8,14H,3-7,9-11H2,1-2H3/t14-/m0/s1

InChI Key

QNKJTYMHRFCMOZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10037858

Chemical and Physical Properties

Saltdata

0.5HOOCCOOH

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.444

Distribution Coefficient, logD

1.907

Water Solubility, LogSw

-2.56

Polar Surface Area

58.908

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

8019-4420 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-4420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4420?
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What is the minimum amount of 8019-4420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4420
  • 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 8019-4420 available by request