V005-2373 Screening compound: N-{5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide

V005-2373 Screening compound: N-{5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide
V005-2373 Screening compound: N-{5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2373
N-{5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide

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

V005-2373

Molecular Formula

C21H16F3N3O3 (C21 H16 F3 N3 O3)

Compound Name

N-{5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc1c(C2CC2)[nH]nc1-c1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C21H16F3N3O3/c22-21(23,24)14-6-3-12(4-7-14)18-19(17(26-27-18)11-1-2-11)25-20(28)13-5-8-15-16(9-13)30-10-29-15/h3-9,11H,1-2,10H2,(H,25,28)(H,26,27)

InChI Key

YQHUGPMOQGZJMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14266933

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

415.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

4.332

Water Solubility, LogSw

-4.50

Polar Surface Area

63.332

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V005-2373 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V005-2373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2373?
Check Price and Availability of V005-2373, 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 V005-2373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2373
  • 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 V005-2373 available by request