V003-2688 Screening compound: 1-benzyl-1-{[5-(4-methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-3-propylurea

V003-2688 Screening compound: 1-benzyl-1-{[5-(4-methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-3-propylurea
V003-2688 Screening compound: 1-benzyl-1-{[5-(4-methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2688
1-benzyl-1-{[5-(4-methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-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

V003-2688

Molecular Formula

C29H32N4O3 (C29 H32 N4 O3)

Compound Name

1-benzyl-1-{[5-(4-methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-3-propylurea

IUPAC name

1-benzyl-1-{[5-(4-methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-3-propylurea

SMILES

CCCNC(N(Cc(c(-c1ccccc1)nn1C)c1Oc(cc1)ccc1OC)Cc1ccccc1)=O

InChI

InChI=1S/C29H32N4O3/c1-4-19-30-29(34)33(20-22-11-7-5-8-12-22)21-26-27(23-13-9-6-10-14-23)31-32(2)28(26)36-25-17-15-24(35-3)16-18-25/h5-18H,4,19-21H2,1-3H3,(H,30,34)

InChI Key

YTXRMMRZJOKKBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19805143

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

5.436

Water Solubility, LogSw

-5.39

Polar Surface Area

55.003

Acid Dissociation Constant (pKa)

17.58

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

V003-2688 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V003-2688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2688?
Check Price and Availability of V003-2688, 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 V003-2688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2688
  • 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 V003-2688 available by request