V012-3330 Screening compound: 1-{[5-(2-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

V012-3330 Screening compound: 1-{[5-(2-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea
V012-3330 Screening compound: 1-{[5-(2-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3330
1-{[5-(2-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)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

V012-3330

Molecular Formula

C28H35FN4O3 (C28 H35 FN4 O3)

Compound Name

1-{[5-(2-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

IUPAC name

1-{[5-(2-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

SMILES

CC(C)c(c(CN(CC1OCCC1)C(NC(C)C)=O)c1Oc(cccc2)c2F)nn1-c1ccccc1

InChI

InChI=1S/C28H35FN4O3/c1-19(2)26-23(18-32(28(34)30-20(3)4)17-22-13-10-16-35-22)27(36-25-15-9-8-14-24(25)29)33(31-26)21-11-6-5-7-12-21/h5-9,11-12,14-15,19-20,22H,10,13,16-18H2,1-4H3,(H,30,34)/t22-/m1/s1

InChI Key

VIYTXEDDNQKOPB-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19804174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.785

Distribution Coefficient, logD

5.785

Water Solubility, LogSw

-5.57

Polar Surface Area

55.183

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V012-3330 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V012-3330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3330?
Check Price and Availability of V012-3330, 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 V012-3330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3330
  • 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 V012-3330 available by request