8019-7729 Screening compound: {5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol

8019-7729 Screening compound: {5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol
8019-7729 Screening compound: {5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7729
{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol

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

8019-7729

Molecular Formula

C14H17NO6 (C14 H17 NO6)

Compound Name

{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol

IUPAC name

{5-[(47-dimethoxy-2H-13-benzodioxol-5-yl)methyl]-45-dihydro-12-oxazol-3-yl}methanol

SMILES

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

InChI

InChI=1S/C14H17NO6/c1-17-11-4-8(3-10-5-9(6-16)15-21-10)12(18-2)14-13(11)19-7-20-14/h4,10,16H,3,5-7H2,1-2H3/t10-/m0/s1

InChI Key

XXZXVJVHWIYHHG-JTQLQIEISA-N

MDL Number (MFCD)

MFCD09028344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.518

Distribution Coefficient, logD

1.518

Water Solubility, LogSw

-1.54

Polar Surface Area

71.925

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8019-7729 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8019-7729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7729?
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What is the minimum amount of 8019-7729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7729
  • 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 8019-7729 available by request