V025-8181 Screening compound: 3-tert-butyl-1-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]urea

V025-8181 Screening compound: 3-tert-butyl-1-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]urea
V025-8181 Screening compound: 3-tert-butyl-1-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8181
3-tert-butyl-1-{2-[3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]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

V025-8181

Molecular Formula

C30H40ClN5O5 (C30 H40 ClN5 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)NC(N(CCN1CCOCC1)CC(N(C(C1)c(cc(cc2)OC)c2OC)N=C1c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C30H40ClN5O5/c1-30(2,3)32-29(38)35(13-12-34-14-16-41-17-15-34)20-28(37)36-26(23-18-21(39-4)10-11-27(23)40-5)19-25(33-36)22-8-6-7-9-24(22)31/h6-11,18,26H,12-17,19-20H2,1-5H3,(H,32,38)/t26-/m1/s1

InChI Key

KDLSVVQIPWUHAJ-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19797109

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

586.13

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.405

Distribution Coefficient, logD

3.654

Water Solubility, LogSw

-4.57

Polar Surface Area

79.080

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V025-8181 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 V025-8181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8181?
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What is the minimum amount of V025-8181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8181
  • 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 V025-8181 available by request