8104-05031 Screening compound: 4-amino-N-[2-({[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]methyl}amino)ethyl]-1,2,5-oxadiazole-3-carboxamide

8104-05031 Screening compound: 4-amino-N-[2-({[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]methyl}amino)ethyl]-1,2,5-oxadiazole-3-carboxamide
8104-05031 Screening compound: 4-amino-N-[2-({[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]methyl}amino)ethyl]-1,2,5-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-05031
4-amino-N-[2-({[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]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

8104-05031

Molecular Formula

C16H20BrN5O4 (C16 H20 BrN5 O4)

Compound Name

4-amino-N-[2-({[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]methyl}amino)ethyl]-1,2,5-oxadiazole-3-carboxamide

IUPAC name

4-amino-N-[2-({[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]methyl}amino)ethyl]-125-oxadiazole-3-carboxamide

SMILES

COc1cc(CNCCNC(c2nonc2N)=O)cc(Br)c1OCC=C

InChI

InChI=1S/C16H20BrN5O4/c1-3-6-25-14-11(17)7-10(8-12(14)24-2)9-19-4-5-20-16(23)13-15(18)22-26-21-13/h3,7-8,19H,1,4-6,9H2,2H3,(H2,18,22)(H,20,23)

InChI Key

ALKVUZKIUDXNMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07407086

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

426.27

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

1.622

Distribution Coefficient, logD

-0.562

Water Solubility, LogSw

-2.22

Polar Surface Area

108.679

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

9.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8104-05031 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8104-05031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-05031?
Check Price and Availability of 8104-05031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8104-05031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-05031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-05031
  • 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 8104-05031 available by request