V020-7716 Screening compound: 3-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-(3-methylbutyl)-1-phenylurea

V020-7716 Screening compound: 3-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-(3-methylbutyl)-1-phenylurea
V020-7716 Screening compound: 3-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-(3-methylbutyl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-7716
3-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-(3-methylbutyl)-1-phenylurea

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

V020-7716

Molecular Formula

C29H40N6O (C29 H40 N6 O)

Compound Name

3-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-(3-methylbutyl)-1-phenylurea

IUPAC name

3-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-(3-methylbutyl)-1-phenylurea

SMILES

CCN(CC1)CCN1c1c(CN(CCC(C)C)C(Nc2ccccc2)=O)c(C)nn1-c1ccccc1

InChI

InChI=1S/C29H40N6O/c1-5-32-18-20-33(21-19-32)28-27(24(4)31-35(28)26-14-10-7-11-15-26)22-34(17-16-23(2)3)29(36)30-25-12-8-6-9-13-25/h6-15,23H,5,16-22H2,1-4H3,(H,30,36)

InChI Key

IFMAUNJKLKAASJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19940963

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.248

Distribution Coefficient, logD

3.180

Water Solubility, LogSw

-4.97

Polar Surface Area

45.462

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

V020-7716 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V020-7716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-7716?
Check Price and Availability of V020-7716, 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 V020-7716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-7716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-7716
  • 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 V020-7716 available by request