V031-3305 Screening compound: 4-methoxy-N-{2-[5-(2-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

V031-3305 Screening compound: 4-methoxy-N-{2-[5-(2-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide
V031-3305 Screening compound: 4-methoxy-N-{2-[5-(2-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-3305
4-methoxy-N-{2-[5-(2-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]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

V031-3305

Molecular Formula

C30H34N4O5S (C30 H34 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(N(CCN1CCOCC1)CC(N(C(C1)c(cccc2)c2OC)N=C1c1cccs1)=O)=O

InChI

InChI=1S/C30H34N4O5S/c1-37-23-11-9-22(10-12-23)30(36)33(14-13-32-15-17-39-18-16-32)21-29(35)34-26(24-6-3-4-7-27(24)38-2)20-25(31-34)28-8-5-19-40-28/h3-12,19,26H,13-18,20-21H2,1-2H3/t26-/m1/s1

InChI Key

YNFVONRDULWHKF-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19797180

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

562.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.750

Distribution Coefficient, logD

3.745

Water Solubility, LogSw

-4.01

Polar Surface Area

70.860

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

V031-3305 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 V031-3305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-3305?
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What is the minimum amount of V031-3305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-3305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-3305
  • 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 V031-3305 available by request