V030-9797 Screening compound: N'-ethyl-N-{[4-ethyl-5-(3-methoxybenzyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]methyl}-N-isobutylurea

V030-9797 Screening compound: N'-ethyl-N-{[4-ethyl-5-(3-methoxybenzyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]methyl}-N-isobutylurea
V030-9797 Screening compound: N'-ethyl-N-{[4-ethyl-5-(3-methoxybenzyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]methyl}-N-isobutylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9797
N'-ethyl-N-{[4-ethyl-5-(3-methoxybenzyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]methyl}-N-isobutylurea

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

V030-9797

Molecular Formula

C22H32N4O3 (C22 H32 N4 O3)

Compound Name

N'-ethyl-N-{[4-ethyl-5-(3-methoxybenzyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]methyl}-N-isobutylurea

IUPAC name

3-ethyl-1-({4-ethyl-5-[(3-methoxyphenyl)methyl]-6-oxo-16-dihydropyrimidin-2-yl}methyl)-1-(2-methylpropyl)urea

SMILES

CCC(N=C(CN(CC(C)C)C(NCC)=O)N1)=C(Cc2cc(OC)ccc2)C1=O

InChI

InChI=1S/C22H32N4O3/c1-6-19-18(12-16-9-8-10-17(11-16)29-5)21(27)25-20(24-19)14-26(13-15(3)4)22(28)23-7-2/h8-11,15H,6-7,12-14H2,1-5H3,(H,23,28)(H,24,25,27)

InChI Key

HXUFFUPUNXPDPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784017

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.257

Water Solubility, LogSw

-3.53

Polar Surface Area

68.954

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V030-9797 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V030-9797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9797?
Check Price and Availability of V030-9797, 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 V030-9797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9797
  • 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 V030-9797 available by request