V004-1014 Screening compound: 1-{[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)-3-propylurea

V004-1014 Screening compound: 1-{[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)-3-propylurea
V004-1014 Screening compound: 1-{[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1014
1-{[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)-3-propylurea

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

V004-1014

Molecular Formula

C25H31FN4O3 (C25 H31 FN4 O3)

Compound Name

1-{[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)-3-propylurea

IUPAC name

1-{[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)-3-propylurea

SMILES

CCCNC(N(CCOC)Cc(c(CC)nn1-c2ccccc2)c1Oc(cccc1)c1F)=O

InChI

InChI=1S/C25H31FN4O3/c1-4-15-27-25(31)29(16-17-32-3)18-20-22(5-2)28-30(19-11-7-6-8-12-19)24(20)33-23-14-10-9-13-21(23)26/h6-14H,4-5,15-18H2,1-3H3,(H,27,31)

InChI Key

KISSRSMMAYMIFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19804193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.866

Distribution Coefficient, logD

4.866

Water Solubility, LogSw

-4.57

Polar Surface Area

56.483

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V004-1014 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V004-1014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1014?
Check Price and Availability of V004-1014, 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 V004-1014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1014
  • 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 V004-1014 available by request