V020-2086 Screening compound: N-(2-{3-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-4-(trifluoromethyl)benzamide

V020-2086 Screening compound: N-(2-{3-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-4-(trifluoromethyl)benzamide
V020-2086 Screening compound: N-(2-{3-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-2086
N-(2-{3-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-4-(trifluoromethyl)benzamide

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

V020-2086

Molecular Formula

C26H22F5N3O2 (C26 H22 F5 N3 O2)

Compound Name

N-(2-{3-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-4-(trifluoromethyl)benzamide

IUPAC name

N-(2-{3-[(24-difluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-5-methylphenyl)-4-(trifluoromethyl)benzamide

SMILES

Cc(cc1)cc(NC(c2ccc(C(F)(F)F)cc2)=O)c1N(CCCN1Cc(ccc(F)c2)c2F)C1=O

InChI

InChI=1S/C26H22F5N3O2/c1-16-3-10-23(22(13-16)32-24(35)17-4-7-19(8-5-17)26(29,30)31)34-12-2-11-33(25(34)36)15-18-6-9-20(27)14-21(18)28/h3-10,13-14H,2,11-12,15H2,1H3,(H,32,35)

InChI Key

WICQQUPZORBNBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.978

Distribution Coefficient, logD

5.974

Water Solubility, LogSw

-5.45

Polar Surface Area

41.889

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V020-2086 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V020-2086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-2086?
Check Price and Availability of V020-2086, 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 V020-2086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-2086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-2086
  • 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 V020-2086 available by request