V020-1259 Screening compound: N-(4-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide

V020-1259 Screening compound: N-(4-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
V020-1259 Screening compound: N-(4-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-1259
N-(4-{3-[(3,5-dimethylphenyl)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

V020-1259

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

N-(4-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide

IUPAC name

N-(4-{3-[(35-dimethylphenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide

SMILES

Cc1cc(CN(CCCN2c(cc3)ccc3NC(c3cc([N+]([O-])=O)c(C)cc3)=O)C2=O)cc(C)c1

InChI

InChI=1S/C27H28N4O4/c1-18-13-19(2)15-21(14-18)17-29-11-4-12-30(27(29)33)24-9-7-23(8-10-24)28-26(32)22-6-5-20(3)25(16-22)31(34)35/h5-10,13-16H,4,11-12,17H2,1-3H3,(H,28,32)

InChI Key

IPTGQFWRNAZSCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

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

5.875

Distribution Coefficient, logD

5.873

Water Solubility, LogSw

-5.41

Polar Surface Area

75.969

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V020-1259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-1259?
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What is the minimum amount of V020-1259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-1259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-1259
  • 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 V020-1259 available by request