V020-3673 Screening compound: 3-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-1-(4-methylphenyl)urea

V020-3673 Screening compound: 3-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-1-(4-methylphenyl)urea
V020-3673 Screening compound: 3-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-1-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3673
3-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-1-(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

V020-3673

Molecular Formula

C27H27F3N4O2 (C27 H27 F3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(Nc(cc(C)cc1)c1N(CCCN1Cc2cccc(C(F)(F)F)c2)C1=O)=O

InChI

InChI=1S/C27H27F3N4O2/c1-18-7-10-22(11-8-18)31-25(35)32-23-15-19(2)9-12-24(23)34-14-4-13-33(26(34)36)17-20-5-3-6-21(16-20)27(28,29)30/h3,5-12,15-16H,4,13-14,17H2,1-2H3,(H2,31,32,35)

InChI Key

OKSDTKSXIJBSPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.273

Distribution Coefficient, logD

6.273

Water Solubility, LogSw

-5.56

Polar Surface Area

51.101

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.93

V020-3673 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V020-3673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3673?
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What is the minimum amount of V020-3673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3673
  • 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 V020-3673 available by request