V027-5518 Screening compound: 2-(benzyloxy)-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-N-[(furan-2-yl)methyl]acetamide

V027-5518 Screening compound: 2-(benzyloxy)-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-N-[(furan-2-yl)methyl]acetamide
V027-5518 Screening compound: 2-(benzyloxy)-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5518
2-(benzyloxy)-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-N-[(furan-2-yl)methyl]acetamide

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

V027-5518

Molecular Formula

C31H27FN4O4 (C31 H27 FN4 O4)

Compound Name

2-(benzyloxy)-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-(benzyloxy)-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-N-[(furan-2-yl)methyl]acetamide

SMILES

O=C(CN(Cc1ccco1)C(COCc1ccccc1)=O)Nc1cc(-c2ccccc2)nn1-c(cc1)ccc1F

InChI

InChI=1S/C31H27FN4O4/c32-25-13-15-26(16-14-25)36-29(18-28(34-36)24-10-5-2-6-11-24)33-30(37)20-35(19-27-12-7-17-40-27)31(38)22-39-21-23-8-3-1-4-9-23/h1-18H,19-22H2,(H,33,37)

InChI Key

GUWLZVWVESZMMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19719127

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.272

Distribution Coefficient, logD

5.272

Water Solubility, LogSw

-5.51

Polar Surface Area

69.146

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

V027-5518 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V027-5518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5518?
Check Price and Availability of V027-5518, 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 V027-5518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5518
  • 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 V027-5518 available by request