V020-3128 Screening compound: 3-(3-methoxyphenyl)-1-[5-methyl-2-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea

V020-3128 Screening compound: 3-(3-methoxyphenyl)-1-[5-methyl-2-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea
V020-3128 Screening compound: 3-(3-methoxyphenyl)-1-[5-methyl-2-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3128
3-(3-methoxyphenyl)-1-[5-methyl-2-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]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

V020-3128

Molecular Formula

C29H34N4O3 (C29 H34 N4 O3)

Compound Name

3-(3-methoxyphenyl)-1-[5-methyl-2-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea

IUPAC name

3-(3-methoxyphenyl)-1-[5-methyl-2-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-13-diazinan-1-yl)phenyl]urea

SMILES

CC(C)c1ccc(CN(CCCN2c(ccc(C)c3)c3NC(Nc3cc(OC)ccc3)=O)C2=O)cc1

InChI

InChI=1S/C29H34N4O3/c1-20(2)23-12-10-22(11-13-23)19-32-15-6-16-33(29(32)35)27-14-9-21(3)17-26(27)31-28(34)30-24-7-5-8-25(18-24)36-4/h5,7-14,17-18,20H,6,15-16,19H2,1-4H3,(H2,30,31,34)

InChI Key

HWPRVUXXHDHXAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.61

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

6.497

Distribution Coefficient, logD

6.497

Water Solubility, LogSw

-5.54

Polar Surface Area

58.645

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V020-3128 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V020-3128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3128?
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What is the minimum amount of V020-3128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3128
  • 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 V020-3128 available by request