V020-1717 Screening compound: N-(4-{3-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide

V020-1717 Screening compound: N-(4-{3-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
V020-1717 Screening compound: N-(4-{3-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-1717
N-(4-{3-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide

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

V020-1717

Molecular Formula

C25H22F2N4O4 (C25 H22 F2 N4 O4)

Compound Name

N-(4-{3-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide

IUPAC name

N-(4-{3-[(24-difluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide

SMILES

Cc(ccc(C(Nc(cc1)ccc1N(CCCN1Cc(ccc(F)c2)c2F)C1=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C25H22F2N4O4/c1-16-3-4-17(13-23(16)31(34)35)24(32)28-20-7-9-21(10-8-20)30-12-2-11-29(25(30)33)15-18-5-6-19(26)14-22(18)27/h3-10,13-14H,2,11-12,15H2,1H3,(H,28,32)

InChI Key

WCNPORBGRRRYOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.062

Distribution Coefficient, logD

5.060

Water Solubility, LogSw

-4.86

Polar Surface Area

75.969

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V020-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-1717?
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What is the minimum amount of V020-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-1717
  • 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 V020-1717 available by request