8019-5349 Screening compound: methyl 5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

8019-5349 Screening compound: methyl 5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
8019-5349 Screening compound: methyl 5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5349
methyl 5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

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

8019-5349

Molecular Formula

C14H15NO6 (C14 H15 NO6)

Compound Name

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

IUPAC name

methyl 5-[(7-methoxy-2H-13-benzodioxol-5-yl)methyl]-45-dihydro-12-oxazole-3-carboxylate

SMILES

COC(C1=NOC(Cc2cc(OC)c3OCOc3c2)C1)=O

InChI

InChI=1S/C14H15NO6/c1-17-11-4-8(5-12-13(11)20-7-19-12)3-9-6-10(15-21-9)14(16)18-2/h4-5,9H,3,6-7H2,1-2H3/t9-/m1/s1

InChI Key

IKHDIVINJBNLPD-SECBINFHSA-N

MDL Number (MFCD)

MFCD10038112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.168

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-2.48

Polar Surface Area

68.678

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

8019-5349 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8019-5349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5349?
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What is the minimum amount of 8019-5349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5349
  • 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 8019-5349 available by request