V030-5515 Screening compound: 1-{2-[5-(2-methoxyphenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

V030-5515 Screening compound: 1-{2-[5-(2-methoxyphenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
V030-5515 Screening compound: 1-{2-[5-(2-methoxyphenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5515
1-{2-[5-(2-methoxyphenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

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

V030-5515

Molecular Formula

C31H35F3N6O4 (C31 H35 F3 N6 O4)

Compound Name

1-{2-[5-(2-methoxyphenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

IUPAC name

1-{2-[5-(2-methoxyphenyl)-3-(1-methyl-1H-pyrrol-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

SMILES

Cn1c(C(CC2c(cccc3)c3OC)=NN2C(CN(CCN2CCOCC2)C(Nc2ccc(C(F)(F)F)cc2)=O)=O)ccc1

InChI

InChI=1S/C31H35F3N6O4/c1-37-13-5-7-26(37)25-20-27(24-6-3-4-8-28(24)43-2)40(36-25)29(41)21-39(15-14-38-16-18-44-19-17-38)30(42)35-23-11-9-22(10-12-23)31(32,33)34/h3-13,27H,14-21H2,1-2H3,(H,35,42)/t27-/m0/s1

InChI Key

MTRKXSILCVZSDO-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19799644

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

612.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.923

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.55

Polar Surface Area

73.536

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.70

V030-5515 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 V030-5515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5515?
Check Price and Availability of V030-5515, 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 V030-5515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5515
  • 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 V030-5515 available by request