V020-3493 Screening compound: N-{3-[3-(4-isopropylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-N'-(3-methoxyphenyl)urea

V020-3493 Screening compound: N-{3-[3-(4-isopropylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-N'-(3-methoxyphenyl)urea
V020-3493 Screening compound: N-{3-[3-(4-isopropylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-N'-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3493
N-{3-[3-(4-isopropylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-N'-(3-methoxyphenyl)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

V020-3493

Molecular Formula

C28H32N4O3 (C28 H32 N4 O3)

Compound Name

N-{3-[3-(4-isopropylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-N'-(3-methoxyphenyl)urea

IUPAC name

3-(3-methoxyphenyl)-1-[3-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-13-diazinan-1-yl)phenyl]urea

SMILES

CC(C)c1ccc(CN(CCCN2c3cc(NC(Nc4cc(OC)ccc4)=O)ccc3)C2=O)cc1

InChI

InChI=1S/C28H32N4O3/c1-20(2)22-13-11-21(12-14-22)19-31-15-6-16-32(28(31)34)25-9-4-7-23(17-25)29-27(33)30-24-8-5-10-26(18-24)35-3/h4-5,7-14,17-18,20H,6,15-16,19H2,1-3H3,(H2,29,30,33)

InChI Key

TZFXWDWIBAOJJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.514

Distribution Coefficient, logD

6.514

Water Solubility, LogSw

-5.57

Polar Surface Area

59.644

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V020-3493 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V020-3493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3493?
Check Price and Availability of V020-3493, 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 V020-3493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3493
  • 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 V020-3493 available by request