V020-2712 Screening compound: 1-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-phenylurea

V020-2712 Screening compound: 1-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-phenylurea
V020-2712 Screening compound: 1-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-2712
1-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-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

V020-2712

Molecular Formula

C27H30N4O4 (C27 H30 N4 O4)

Compound Name

1-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-phenylurea

IUPAC name

1-(2-{3-[(35-dimethoxyphenyl)methyl]-2-oxo-13-diazinan-1-yl}-5-methylphenyl)-3-phenylurea

SMILES

Cc(cc1)cc(NC(Nc2ccccc2)=O)c1N(CCCN1Cc2cc(OC)cc(OC)c2)C1=O

InChI

InChI=1S/C27H30N4O4/c1-19-10-11-25(24(14-19)29-26(32)28-21-8-5-4-6-9-21)31-13-7-12-30(27(31)33)18-20-15-22(34-2)17-23(16-20)35-3/h4-6,8-11,14-17H,7,12-13,18H2,1-3H3,(H2,28,29,32)

InChI Key

CSVMXLHBVXOBQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.031

Distribution Coefficient, logD

5.031

Water Solubility, LogSw

-4.61

Polar Surface Area

66.189

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V020-2712 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V020-2712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-2712?
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What is the minimum amount of V020-2712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-2712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-2712
  • 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 V020-2712 available by request