V019-8045 Screening compound: N-(2-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3,3-dimethylbutanamide

V019-8045 Screening compound: N-(2-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3,3-dimethylbutanamide
V019-8045 Screening compound: N-(2-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-8045
N-(2-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3,3-dimethylbutanamide

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

V019-8045

Molecular Formula

C24H30ClN3O2 (C24 H30 ClN3 O2)

Compound Name

N-(2-{3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3,3-dimethylbutanamide

IUPAC name

N-(2-{3-[(4-chlorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-5-methylphenyl)-33-dimethylbutanamide

SMILES

CC(C)(C)CC(Nc(cc(C)cc1)c1N(CCCN1Cc(cc2)ccc2Cl)C1=O)=O

InChI

InChI=1S/C24H30ClN3O2/c1-17-6-11-21(20(14-17)26-22(29)15-24(2,3)4)28-13-5-12-27(23(28)30)16-18-7-9-19(25)10-8-18/h6-11,14H,5,12-13,15-16H2,1-4H3,(H,26,29)

InChI Key

GVEJIIQXUANKBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.97

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

5.268

Distribution Coefficient, logD

5.267

Water Solubility, LogSw

-5.73

Polar Surface Area

41.948

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with V019-8045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-8045?
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What is the minimum amount of V019-8045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-8045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-8045
  • 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 V019-8045 available by request