V031-2505 Screening compound: N-{2-[5-(2-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

V031-2505 Screening compound: N-{2-[5-(2-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide
V031-2505 Screening compound: N-{2-[5-(2-methoxyphenyl)-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 V031-2505
N-{2-[5-(2-methoxyphenyl)-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

V031-2505

Molecular Formula

C30H31F3N4O4S (C30 H31 F3 N4 O4 S)

Compound Name

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

SMILES

COc1c(C(C2)N(C(CN(CCN3CCOCC3)C(c3ccc(C(F)(F)F)cc3)=O)=O)N=C2c2cccs2)cccc1

InChI

InChI=1S/C30H31F3N4O4S/c1-40-26-6-3-2-5-23(26)25-19-24(27-7-4-18-42-27)34-37(25)28(38)20-36(13-12-35-14-16-41-17-15-35)29(39)21-8-10-22(11-9-21)30(31,32)33/h2-11,18,25H,12-17,19-20H2,1H3/t25-/m1/s1

InChI Key

ORJQWOVVGNEOBJ-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19800780

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

600.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.640

Distribution Coefficient, logD

4.635

Water Solubility, LogSw

-4.41

Polar Surface Area

63.316

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

V031-2505 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 V031-2505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2505?
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What is the minimum amount of V031-2505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2505
  • 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 V031-2505 available by request