D491-9795 Screening compound: 2-(4-fluorophenoxy)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}propanamide

D491-9795 Screening compound: 2-(4-fluorophenoxy)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}propanamide
D491-9795 Screening compound: 2-(4-fluorophenoxy)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9795
2-(4-fluorophenoxy)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}propanamide

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

D491-9795

Molecular Formula

C17H16FN3O2S (C17 H16 FN3 O2 S)

Compound Name

2-(4-fluorophenoxy)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}propanamide

IUPAC name

2-(4-fluorophenoxy)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}propanamide

SMILES

CC(C(Nc1ccnn1Cc1cccs1)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C17H16FN3O2S/c1-12(23-14-6-4-13(18)5-7-14)17(22)20-16-8-9-19-21(16)11-15-3-2-10-24-15/h2-10,12H,11H2,1H3,(H,20,22)/t12-/m0/s1

InChI Key

PRIMFDXGHCEUNW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD18077652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.30

Polar Surface Area

45.570

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with D491-9795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9795?
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What is the minimum amount of D491-9795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9795
  • 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 D491-9795 available by request