8019-4588 Screening compound: 5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide

8019-4588 Screening compound: 5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
8019-4588 Screening compound: 5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4588
5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide

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

8019-4588

Molecular Formula

C14H17N3O6 (C14 H17 N3 O6)

Compound Name

5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide

IUPAC name

5-[(67-dimethoxy-2H-13-benzodioxol-5-yl)methyl]-45-dihydro-12-oxazole-3-carbohydrazide

SMILES

COc1c2OCOc2cc(CC(C2)ON=C2C(NN)=O)c1OC

InChI

InChI=1S/C14H17N3O6/c1-19-11-7(3-8-5-9(17-23-8)14(18)16-15)4-10-12(13(11)20-2)22-6-21-10/h4,8H,3,5-6,15H2,1-2H3,(H,16,18)/t8-/m1/s1

InChI Key

MPWKOAAYDITALN-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD08848262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.773

Distribution Coefficient, logD

0.770

Water Solubility, LogSw

-1.51

Polar Surface Area

104.214

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 8019-4588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4588?
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What is the minimum amount of 8019-4588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4588
  • 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 8019-4588 available by request