8019-5527 Screening compound: 5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

8019-5527 Screening compound: 5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
8019-5527 Screening compound: 5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5527
5-[(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

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

8019-5527

Molecular Formula

C14H14BrNO7 (C14 H14 BrNO7)

Compound Name

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

IUPAC name

5-[(4-bromo-67-dimethoxy-2H-13-benzodioxol-5-yl)methyl]-45-dihydro-12-oxazole-3-carboxylic acid

SMILES

COc(c1c(c(Br)c2CC(C3)ON=C3C(O)=O)OCO1)c2OC

InChI

InChI=1S/C14H14BrNO7/c1-19-10-7(3-6-4-8(14(17)18)16-23-6)9(15)11-13(12(10)20-2)22-5-21-11/h6H,3-5H2,1-2H3,(H,17,18)/t6-/m0/s1

InChI Key

DWHDLXILBPXSJK-LURJTMIESA-N

MDL Number (MFCD)

MFCD10038219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.17

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.300

Distribution Coefficient, logD

-1.471

Water Solubility, LogSw

-2.02

Polar Surface Area

83.401

Acid Dissociation Constant (pKa)

3.63

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 8019-5527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5527?
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What is the minimum amount of 8019-5527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5527
  • 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 8019-5527 available by request