D491-9822 Screening compound: 2-(4-ethylphenoxy)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}propanamide

D491-9822 Screening compound: 2-(4-ethylphenoxy)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}propanamide
D491-9822 Screening compound: 2-(4-ethylphenoxy)-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9822
2-(4-ethylphenoxy)-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

D491-9822

Molecular Formula

C19H21N3O2S (C19 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1OC(C)C(Nc1ccnn1Cc1cccs1)=O

InChI

InChI=1S/C19H21N3O2S/c1-3-15-6-8-16(9-7-15)24-14(2)19(23)21-18-10-11-20-22(18)13-17-5-4-12-25-17/h4-12,14H,3,13H2,1-2H3,(H,21,23)/t14-/m0/s1

InChI Key

KSGNKGZENJEGQD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD18077768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.951

Distribution Coefficient, logD

3.951

Water Solubility, LogSw

-3.75

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

26.30

D491-9822 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D491-9822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9822?
Check Price and Availability of D491-9822, 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 D491-9822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9822
  • 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 D491-9822 available by request