D491-9781 Screening compound: 4-ethoxy-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}benzamide

D491-9781 Screening compound: 4-ethoxy-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}benzamide
D491-9781 Screening compound: 4-ethoxy-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9781
4-ethoxy-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}benzamide

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

D491-9781

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(Nc1ccnn1Cc1cccs1)=O

InChI

InChI=1S/C17H17N3O2S/c1-2-22-14-7-5-13(6-8-14)17(21)19-16-9-10-18-20(16)12-15-4-3-11-23-15/h3-11H,2,12H2,1H3,(H,19,21)

InChI Key

ZWILZOMSKKMUKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

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

-3.33

Polar Surface Area

45.905

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with D491-9781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9781?
Check Price and Availability of D491-9781, 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 D491-9781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9781
  • 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 D491-9781 available by request