D491-9794 Screening compound: 2-(2-fluorophenoxy)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}propanamide

D491-9794 Screening compound: 2-(2-fluorophenoxy)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}propanamide
D491-9794 Screening compound: 2-(2-fluorophenoxy)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9794
2-(2-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

D491-9794

Molecular Formula

C17H16FN3O2S (C17 H16 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1ccnn1Cc1cccs1)=O)Oc(cccc1)c1F

InChI

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

InChI Key

KIBORQCFZKMSPZ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD18077649

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

3.204

Distribution Coefficient, logD

3.204

Water Solubility, LogSw

-3.50

Polar Surface Area

45.657

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

D491-9794 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D491-9794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9794?
Check Price and Availability of D491-9794, 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 D491-9794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9794
  • 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 D491-9794 available by request