V021-1390 Screening compound: 1-[3-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-(prop-2-en-1-yl)urea

V021-1390 Screening compound: 1-[3-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-(prop-2-en-1-yl)urea
V021-1390 Screening compound: 1-[3-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-(prop-2-en-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1390
1-[3-(2-oxo-3-{[3-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-(prop-2-en-1-yl)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

V021-1390

Molecular Formula

C22H23F3N4O3 (C22 H23 F3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H23F3N4O3/c1-2-10-26-20(30)27-17-7-4-8-18(14-17)29-12-5-11-28(21(29)31)15-16-6-3-9-19(13-16)32-22(23,24)25/h2-4,6-9,13-14H,1,5,10-12,15H2,(H2,26,27,30)

InChI Key

XDBLHDKERNWWDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19897513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.627

Distribution Coefficient, logD

4.627

Water Solubility, LogSw

-4.63

Polar Surface Area

59.472

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V021-1390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1390?
Check Price and Availability of V021-1390, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V021-1390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1390
  • 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 V021-1390 available by request