V018-0172 Screening compound: N,N-diethyl-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

V018-0172 Screening compound: N,N-diethyl-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide
V018-0172 Screening compound: N,N-diethyl-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0172
N,N-diethyl-4-{3-[3-(trifluoromethyl)phenyl]-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

V018-0172

Molecular Formula

C21H20F3N3O (C21 H20 F3 N3 O)

Compound Name

N,N-diethyl-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

IUPAC name

NN-diethyl-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide

SMILES

CCN(CC)C(c(cc1)ccc1-c1cc(-c2cccc(C(F)(F)F)c2)n[nH]1)=O

InChI

InChI=1S/C21H20F3N3O/c1-3-27(4-2)20(28)15-10-8-14(9-11-15)18-13-19(26-25-18)16-6-5-7-17(12-16)21(22,23)24/h5-13H,3-4H2,1-2H3,(H,25,26)

InChI Key

URLJUDOXFVRRIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19954399

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

387.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.671

Distribution Coefficient, logD

4.671

Water Solubility, LogSw

-4.50

Polar Surface Area

38.389

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V018-0172 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V018-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0172?
Check Price and Availability of V018-0172, 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 V018-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0172
  • 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 V018-0172 available by request