V013-4697 Screening compound: 1-{2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

V013-4697 Screening compound: 1-{2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
V013-4697 Screening compound: 1-{2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-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 V013-4697
1-{2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-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

V013-4697

Molecular Formula

C33H36F3N5O4 (C33 H36 F3 N5 O4)

Compound Name

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

SMILES

Cc1ccc(C(C2)N(C(CN(CCN3CCOCC3)C(Nc3ccc(C(F)(F)F)cc3)=O)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C33H36F3N5O4/c1-23-3-5-25(6-4-23)30-21-29(24-7-13-28(44-2)14-8-24)38-41(30)31(42)22-40(16-15-39-17-19-45-20-18-39)32(43)37-27-11-9-26(10-12-27)33(34,35)36/h3-14,30H,15-22H2,1-2H3,(H,37,43)/t30-/m0/s1

InChI Key

XEJVEEVQBKJHBB-PMERELPUSA-N

MDL Number (MFCD)

MFCD19800772

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

623.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

5.080

Water Solubility, LogSw

-5.46

Polar Surface Area

71.032

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V013-4697 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V013-4697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4697?
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What is the minimum amount of V013-4697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4697
  • 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 V013-4697 available by request