V006-2854 Screening compound: 1-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

V006-2854 Screening compound: 1-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
V006-2854 Screening compound: 1-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-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 V006-2854
1-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-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

V006-2854

Molecular Formula

C33H35ClF3N5O5 (C33 H35 ClF3 N5 O5)

Compound Name

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

IUPAC name

1-{2-[3-(2-chlorophenyl)-5-(25-dimethoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

SMILES

COc(cc1)cc(C(C2)N(C(CN(CCN3CCOCC3)C(Nc3ccc(C(F)(F)F)cc3)=O)=O)N=C2c(cccc2)c2Cl)c1OC

InChI

InChI=1S/C33H35ClF3N5O5/c1-45-24-11-12-30(46-2)26(19-24)29-20-28(25-5-3-4-6-27(25)34)39-42(29)31(43)21-41(14-13-40-15-17-47-18-16-40)32(44)38-23-9-7-22(8-10-23)33(35,36)37/h3-12,19,29H,13-18,20-21H2,1-2H3,(H,38,44)/t29-/m1/s1

InChI Key

VFXVXKVBPVIJRF-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19800378

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

674.12

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.611

Distribution Coefficient, logD

5.255

Water Solubility, LogSw

-5.76

Polar Surface Area

78.663

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V006-2854 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V006-2854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-2854?
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What is the minimum amount of V006-2854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-2854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-2854
  • 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 V006-2854 available by request