8019-6600 Screening compound: 5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

8019-6600 Screening compound: 5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
8019-6600 Screening compound: 5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6600
5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-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

8019-6600

Molecular Formula

C20H20BrNO6 (C20 H20 BrNO6)

Compound Name

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

IUPAC name

5-[(6-bromo-47-dimethoxy-2H-13-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-45-dihydro-12-oxazole

SMILES

COc(cc1)ccc1C1=NOC(Cc(c(Br)c(c2c3OCO2)OC)c3OC)C1

InChI

InChI=1S/C20H20BrNO6/c1-23-12-6-4-11(5-7-12)15-9-13(28-22-15)8-14-16(21)18(25-3)20-19(17(14)24-2)26-10-27-20/h4-7,13H,8-10H2,1-3H3/t13-/m0/s1

InChI Key

NRNQJRODYBTXSE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD10038795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.29

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

4.719

Distribution Coefficient, logD

4.719

Water Solubility, LogSw

-4.61

Polar Surface Area

62.265

Acid Dissociation Constant (pKa)

21.43

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 8019-6600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6600?
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What is the minimum amount of 8019-6600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6600
  • 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 8019-6600 available by request