8019-7300 Screening compound: [(E)-[(5-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxol-4-yl)methylidene]amino]urea

8019-7300 Screening compound: [(E)-[(5-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxol-4-yl)methylidene]amino]urea
8019-7300 Screening compound: [(E)-[(5-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxol-4-yl)methylidene]amino]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7300
[(E)-[(5-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxol-4-yl)methylidene]amino]urea

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

8019-7300

Molecular Formula

C21H21FN4O6 (C21 H21 FN4 O6)

Compound Name

[(E)-[(5-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-2H-1,3-benzodioxol-4-yl)methylidene]amino]urea

IUPAC name

[(E)-[(5-{[3-(4-fluorophenyl)-45-dihydro-12-oxazol-5-yl]methyl}-67-dimethoxy-2H-13-benzodioxol-4-yl)methylidene]amino]urea

SMILES

COc1c2OCOc2c(/C=N/NC(N)=O)c(CC(C2)ON=C2c(cc2)ccc2F)c1OC

InChI

InChI=1S/C21H21FN4O6/c1-28-17-14(7-13-8-16(26-32-13)11-3-5-12(22)6-4-11)15(9-24-25-21(23)27)18-20(19(17)29-2)31-10-30-18/h3-6,9,13H,7-8,10H2,1-2H3,(H3,23,25,27)/t13-/m1/s1

InChI Key

ACIOOMFYBIUQLJ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD10039254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.797

Distribution Coefficient, logD

3.797

Water Solubility, LogSw

-4.32

Polar Surface Area

111.006

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8019-7300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7300?
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What is the minimum amount of 8019-7300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7300
  • 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 8019-7300 available by request