8018-0144 Screening compound: N~1~-{4-[5-(2-fluorobenzyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

8018-0144 Screening compound: N~1~-{4-[5-(2-fluorobenzyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
8018-0144 Screening compound: N~1~-{4-[5-(2-fluorobenzyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0144
N~1~-{4-[5-(2-fluorobenzyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)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

8018-0144

Molecular Formula

C21H17FN6O4 (C21 H17 FN6 O4)

Compound Name

N~1~-{4-[5-(2-fluorobenzyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

IUPAC name

N-(4-{5-[(2-fluorophenyl)methyl]-124-oxadiazol-3-yl}phenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

SMILES

Cc1cc([N+]([O-])=O)nn1CC(Nc(cc1)ccc1-c1noc(Cc(cccc2)c2F)n1)=O

InChI

InChI=1S/C21H17FN6O4/c1-13-10-18(28(30)31)25-27(13)12-19(29)23-16-8-6-14(7-9-16)21-24-20(32-26-21)11-15-4-2-3-5-17(15)22/h2-10H,11-12H2,1H3,(H,23,29)

InChI Key

JNWBRWORHMPXQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07021884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.729

Distribution Coefficient, logD

3.729

Water Solubility, LogSw

-4.03

Polar Surface Area

101.233

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with 8018-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0144?
Check Price and Availability of 8018-0144, 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 8018-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0144
  • 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 8018-0144 available by request