V030-0799 Screening compound: 3-ethyl-1-[3-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea

V030-0799 Screening compound: 3-ethyl-1-[3-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea
V030-0799 Screening compound: 3-ethyl-1-[3-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0799
3-ethyl-1-[3-(2-oxo-3-{[3-(trifluoromethoxy)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

V030-0799

Molecular Formula

C21H23F3N4O3 (C21 H23 F3 N4 O3)

Compound Name

3-ethyl-1-[3-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea

IUPAC name

3-ethyl-1-[3-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-13-diazinan-1-yl)phenyl]urea

SMILES

CCNC(Nc1cccc(N(CCCN2Cc3cccc(OC(F)(F)F)c3)C2=O)c1)=O

InChI

InChI=1S/C21H23F3N4O3/c1-2-25-19(29)26-16-7-4-8-17(13-16)28-11-5-10-27(20(28)30)14-15-6-3-9-18(12-15)31-21(22,23)24/h3-4,6-9,12-13H,2,5,10-11,14H2,1H3,(H2,25,26,29)

InChI Key

OTODCMPALURJGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19897511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.43

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

4.610

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.34

Polar Surface Area

59.256

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V030-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0799?
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What is the minimum amount of V030-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0799
  • 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 V030-0799 available by request