V020-4546 Screening compound: 2-chloro-N-(2-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)benzamide

V020-4546 Screening compound: 2-chloro-N-(2-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)benzamide
V020-4546 Screening compound: 2-chloro-N-(2-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-4546
2-chloro-N-(2-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)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

V020-4546

Molecular Formula

C25H22ClF2N3O2 (C25 H22 ClF2 N3 O2)

Compound Name

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

IUPAC name

2-chloro-N-(2-{3-[(34-difluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-5-methylphenyl)benzamide

SMILES

Cc(cc1)cc(NC(c(cccc2)c2Cl)=O)c1N(CCCN1Cc(cc2)cc(F)c2F)C1=O

InChI

InChI=1S/C25H22ClF2N3O2/c1-16-7-10-23(22(13-16)29-24(32)18-5-2-3-6-19(18)26)31-12-4-11-30(25(31)33)15-17-8-9-20(27)21(28)14-17/h2-3,5-10,13-14H,4,11-12,15H2,1H3,(H,29,32)

InChI Key

KILNZEBRHXSHMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.320

Distribution Coefficient, logD

5.293

Water Solubility, LogSw

-5.64

Polar Surface Area

41.889

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V020-4546 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V020-4546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-4546?
Check Price and Availability of V020-4546, 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 V020-4546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-4546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-4546
  • 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 V020-4546 available by request