V002-7684 Screening compound: 1-[(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

V002-7684 Screening compound: 1-[(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea
V002-7684 Screening compound: 1-[(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7684
1-[(3-ethyl-5-phenoxy-1-phenyl-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

V002-7684

Molecular Formula

C27H34N4O3 (C27 H34 N4 O3)

Compound Name

1-[(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

IUPAC name

1-[(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)urea

SMILES

CCc(c(CN(CC1OCCC1)C(NC(C)C)=O)c1Oc2ccccc2)nn1-c1ccccc1

InChI

InChI=1S/C27H34N4O3/c1-4-25-24(19-30(27(32)28-20(2)3)18-23-16-11-17-33-23)26(34-22-14-9-6-10-15-22)31(29-25)21-12-7-5-8-13-21/h5-10,12-15,20,23H,4,11,16-19H2,1-3H3,(H,28,32)/t23-/m1/s1

InChI Key

OZYCNZHODVXFAP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19803920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.59

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

4.951

Distribution Coefficient, logD

4.951

Water Solubility, LogSw

-4.47

Polar Surface Area

55.591

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

V002-7684 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-7684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7684?
Check Price and Availability of V002-7684, 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 V002-7684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7684
  • 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 V002-7684 available by request