V030-7598 Screening compound: 1-{1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-3-(4-methylphenyl)urea

V030-7598 Screening compound: 1-{1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-3-(4-methylphenyl)urea
V030-7598 Screening compound: 1-{1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-3-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-7598
1-{1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-3-(4-methylphenyl)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

V030-7598

Molecular Formula

C31H43N5O2 (C31 H43 N5 O2)

Compound Name

1-{1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-3-(4-methylphenyl)urea

IUPAC name

1-{1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl}-3-(4-methylphenyl)urea

SMILES

Cc(cc1)ccc1NC(NC(CC1)CCN1c(cccc1)c1C(N(CC1)CCN1C1CCCCCC1)=O)=O

InChI

InChI=1S/C31H43N5O2/c1-24-12-14-25(15-13-24)32-31(38)33-26-16-18-35(19-17-26)29-11-7-6-10-28(29)30(37)36-22-20-34(21-23-36)27-8-4-2-3-5-9-27/h6-7,10-15,26-27H,2-5,8-9,16-23H2,1H3,(H2,32,33,38)

InChI Key

RHWVQAUWWFTWGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19894896

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.133

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-4.98

Polar Surface Area

56.621

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.80

V030-7598 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • 3D

References: we are preparing a list of scientific research reports with V030-7598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7598?
Check Price and Availability of V030-7598, 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 V030-7598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7598
  • 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 V030-7598 available by request