8018-5801 Screening compound: N-[2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]-2-(4-fluorophenoxy)acetamide

8018-5801 Screening compound: N-[2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]-2-(4-fluorophenoxy)acetamide
8018-5801 Screening compound: N-[2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]-2-(4-fluorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5801
N-[2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]-2-(4-fluorophenoxy)acetamide

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

8018-5801

Molecular Formula

C17H16BrFN6O4 (C17 H16 BrFN6 O4)

Compound Name

N-[2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]-2-(4-fluorophenoxy)acetamide

IUPAC name

N-[2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-124-oxadiazol-5-yl}formamido)ethyl]-2-(4-fluorophenoxy)acetamide

SMILES

O=C(COc(cc1)ccc1F)NCCNC(c1nc(Cn2ncc(Br)c2)no1)=O

InChI

InChI=1S/C17H16BrFN6O4/c18-11-7-22-25(8-11)9-14-23-17(29-24-14)16(27)21-6-5-20-15(26)10-28-13-3-1-12(19)2-4-13/h1-4,7-8H,5-6,9-10H2,(H,20,26)(H,21,27)

InChI Key

VREDZDAKGMHMQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.25

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.420

Distribution Coefficient, logD

0.420

Water Solubility, LogSw

-1.80

Polar Surface Area

103.750

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 8018-5801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5801?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5801
  • 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 8018-5801 available by request