P120-0594 Screening compound: N-[1-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-6-methyl-2-oxo-1,2-dihydropyridin-3-yl]butanamide

P120-0594 Screening compound: N-[1-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-6-methyl-2-oxo-1,2-dihydropyridin-3-yl]butanamide
P120-0594 Screening compound: N-[1-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-6-methyl-2-oxo-1,2-dihydropyridin-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P120-0594
N-[1-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-6-methyl-2-oxo-1,2-dihydropyridin-3-yl]butanamide

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

P120-0594

Molecular Formula

C20H23N3O5 (C20 H23 N3 O5)

Compound Name

N-[1-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-6-methyl-2-oxo-1,2-dihydropyridin-3-yl]butanamide

IUPAC name

N-[1-({[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}methyl)-6-methyl-2-oxo-12-dihydropyridin-3-yl]butanamide

SMILES

CCCC(NC1=CC=C(C)N(CC(NCc(cc2)cc3c2OCO3)=O)C1=O)=O

InChI

InChI=1S/C20H23N3O5/c1-3-4-18(24)22-15-7-5-13(2)23(20(15)26)11-19(25)21-10-14-6-8-16-17(9-14)28-12-27-16/h5-9H,3-4,10-12H2,1-2H3,(H,21,25)(H,22,24)

InChI Key

YUKBKSMRWYYRQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.737

Distribution Coefficient, logD

1.729

Water Solubility, LogSw

-2.43

Polar Surface Area

81.127

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with P120-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P120-0594?
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What is the minimum amount of P120-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P120-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P120-0594
  • 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 P120-0594 available by request