8104-04789 Screening compound: 4-amino-N-{2-[({3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide

8104-04789 Screening compound: 4-amino-N-{2-[({3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide
8104-04789 Screening compound: 4-amino-N-{2-[({3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-04789
4-amino-N-{2-[({3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide

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

8104-04789

Molecular Formula

C20H21BrFN5O4 (C20 H21 BrFN5 O4)

Compound Name

4-amino-N-{2-[({3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)amino]ethyl}-1,2,5-oxadiazole-3-carboxamide

IUPAC name

4-amino-N-{2-[({3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)amino]ethyl}-125-oxadiazole-3-carboxamide

SMILES

COc1cc(CNCCNC(c2nonc2N)=O)cc(Br)c1OCc(cc1)ccc1F

InChI

InChI=1S/C20H21BrFN5O4/c1-29-16-9-13(10-24-6-7-25-20(28)17-19(23)27-31-26-17)8-15(21)18(16)30-11-12-2-4-14(22)5-3-12/h2-5,8-9,24H,6-7,10-11H2,1H3,(H2,23,27)(H,25,28)

InChI Key

FQWGLEKSDQWEDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07406872

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

494.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.589

Distribution Coefficient, logD

0.405

Water Solubility, LogSw

-3.12

Polar Surface Area

108.488

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

9.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8104-04789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-04789?
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What is the minimum amount of 8104-04789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-04789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-04789
  • 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 8104-04789 available by request