V013-7005 Screening compound: 1-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-phenylurea

V013-7005 Screening compound: 1-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-phenylurea
V013-7005 Screening compound: 1-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7005
1-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-phenylurea

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

V013-7005

Molecular Formula

C26H25F3N4O3 (C26 H25 F3 N4 O3)

Compound Name

1-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-phenylurea

IUPAC name

1-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-13-diazinan-1-yl)phenyl]-3-phenylurea

SMILES

Cc(cc1)cc(NC(Nc2ccccc2)=O)c1N(CCCN1Cc(cc2)ccc2OC(F)(F)F)C1=O

InChI

InChI=1S/C26H25F3N4O3/c1-18-8-13-23(22(16-18)31-24(34)30-20-6-3-2-4-7-20)33-15-5-14-32(25(33)35)17-19-9-11-21(12-10-19)36-26(27,28)29/h2-4,6-13,16H,5,14-15,17H2,1H3,(H2,30,31,34)

InChI Key

MEDSPKNFNIOHHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.5

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

6.092

Distribution Coefficient, logD

6.092

Water Solubility, LogSw

-5.41

Polar Surface Area

57.038

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V013-7005 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V013-7005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7005?
Check Price and Availability of V013-7005, 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 V013-7005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7005
  • 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 V013-7005 available by request