V016-0112 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

V016-0112 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide
V016-0112 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-0112
N-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)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

V016-0112

Molecular Formula

C29H28ClF3N4O3S (C29 H28 ClF3 N4 O3 S)

Compound Name

N-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

IUPAC name

N-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

SMILES

O=C(CN(CCN1CCOCC1)C(c1ccc(C(F)(F)F)cc1)=O)N(C(C1)c(cc2)ccc2Cl)N=C1c1cccs1

InChI

InChI=1S/C29H28ClF3N4O3S/c30-23-9-5-20(6-10-23)25-18-24(26-2-1-17-41-26)34-37(25)27(38)19-36(12-11-35-13-15-40-16-14-35)28(39)21-3-7-22(8-4-21)29(31,32)33/h1-10,17,25H,11-16,18-19H2/t25-/m0/s1

InChI Key

OXFWJFZGSYSXPZ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19800499

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

605.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.080

Distribution Coefficient, logD

5.076

Water Solubility, LogSw

-5.77

Polar Surface Area

55.686

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

V016-0112 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V016-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-0112?
Check Price and Availability of V016-0112, 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 V016-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-0112
  • 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 V016-0112 available by request