V005-7162 Screening compound: 1-[4-(4-cyclopropanecarbonylpiperazin-1-yl)-3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea

V005-7162 Screening compound: 1-[4-(4-cyclopropanecarbonylpiperazin-1-yl)-3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
V005-7162 Screening compound: 1-[4-(4-cyclopropanecarbonylpiperazin-1-yl)-3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7162
1-[4-(4-cyclopropanecarbonylpiperazin-1-yl)-3-(morpholine-4-carbonyl)phenyl]-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

V005-7162

Molecular Formula

C27H30F3N5O4 (C27 H30 F3 N5 O4)

Compound Name

1-[4-(4-cyclopropanecarbonylpiperazin-1-yl)-3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea

IUPAC name

1-[4-(4-cyclopropanecarbonylpiperazin-1-yl)-3-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea

SMILES

O=C(C1CC1)N(CC1)CCN1c(ccc(NC(Nc1ccc(C(F)(F)F)cc1)=O)c1)c1C(N1CCOCC1)=O

InChI

InChI=1S/C27H30F3N5O4/c28-27(29,30)19-3-5-20(6-4-19)31-26(38)32-21-7-8-23(22(17-21)25(37)35-13-15-39-16-14-35)33-9-11-34(12-10-33)24(36)18-1-2-18/h3-8,17-18H,1-2,9-16H2,(H2,31,32,38)

InChI Key

OTJVLFMWKKRACC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14259507

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.30

Polar Surface Area

77.229

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

V005-7162 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V005-7162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7162?
Check Price and Availability of V005-7162, 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 V005-7162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7162
  • 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 V005-7162 available by request