V021-1400 Screening compound: 3-(4-methylphenyl)-1-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea

V021-1400 Screening compound: 3-(4-methylphenyl)-1-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea
V021-1400 Screening compound: 3-(4-methylphenyl)-1-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1400
3-(4-methylphenyl)-1-[3-(2-oxo-3-{[3-(trifluoromethyl)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

V021-1400

Molecular Formula

C26H25F3N4O2 (C26 H25 F3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(Nc1cccc(N(CCCN2Cc3cccc(C(F)(F)F)c3)C2=O)c1)=O

InChI

InChI=1S/C26H25F3N4O2/c1-18-9-11-21(12-10-18)30-24(34)31-22-7-3-8-23(16-22)33-14-4-13-32(25(33)35)17-19-5-2-6-20(15-19)26(27,28)29/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H2,30,31,34)

InChI Key

XRDTXWBROYHSJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.51

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

6.290

Distribution Coefficient, logD

6.290

Water Solubility, LogSw

-5.58

Polar Surface Area

52.100

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V021-1400 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V021-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1400?
Check Price and Availability of V021-1400, 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 V021-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1400
  • 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 V021-1400 available by request