V020-2870 Screening compound: 3-ethyl-1-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea

V020-2870 Screening compound: 3-ethyl-1-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea
V020-2870 Screening compound: 3-ethyl-1-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-2870
3-ethyl-1-[5-methyl-2-(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

V020-2870

Molecular Formula

C22H25F3N4O3 (C22 H25 F3 N4 O3)

Compound Name

3-ethyl-1-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea

IUPAC name

3-ethyl-1-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-13-diazinan-1-yl)phenyl]urea

SMILES

CCNC(Nc(cc(C)cc1)c1N(CCCN1Cc2cccc(OC(F)(F)F)c2)C1=O)=O

InChI

InChI=1S/C22H25F3N4O3/c1-3-26-20(30)27-18-12-15(2)8-9-19(18)29-11-5-10-28(21(29)31)14-16-6-4-7-17(13-16)32-22(23,24)25/h4,6-9,12-13H,3,5,10-11,14H2,1-2H3,(H2,26,27,30)

InChI Key

YQAIISXPWNGCGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.46

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

4.594

Distribution Coefficient, logD

4.594

Water Solubility, LogSw

-4.39

Polar Surface Area

58.257

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with V020-2870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-2870?
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What is the minimum amount of V020-2870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-2870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-2870
  • 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 V020-2870 available by request