P018-0789 Screening compound: N-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)-1-methyl-1H-pyrazole-5-carboxamide

P018-0789 Screening compound: N-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)-1-methyl-1H-pyrazole-5-carboxamide
P018-0789 Screening compound: N-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)-1-methyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P018-0789
N-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)-1-methyl-1H-pyrazole-5-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

P018-0789

Molecular Formula

C18H14FN5O2S (C18 H14 FN5 O2 S)

Compound Name

N-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)-1-methyl-1H-pyrazole-5-carboxamide

IUPAC name

N-({5-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]thiophen-2-yl}methyl)-1-methyl-1H-pyrazole-5-carboxamide

SMILES

Cn1nccc1C(NCc1ccc(-c2nc(-c(cc3)ccc3F)no2)s1)=O

InChI

InChI=1S/C18H14FN5O2S/c1-24-14(8-9-21-24)17(25)20-10-13-6-7-15(27-13)18-22-16(23-26-18)11-2-4-12(19)5-3-11/h2-9H,10H2,1H3,(H,20,25)

InChI Key

DYYHXWNMLBBXLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.583

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.86

Polar Surface Area

70.726

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

P018-0789 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P018-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P018-0789?
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What is the minimum amount of P018-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P018-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P018-0789
  • 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 P018-0789 available by request