Y041-4985 Screening compound: methyl 2-[2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetamido]-3-phenylpropanoate

Y041-4985 Screening compound: methyl 2-[2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetamido]-3-phenylpropanoate
Y041-4985 Screening compound: methyl 2-[2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetamido]-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4985
methyl 2-[2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetamido]-3-phenylpropanoate

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

Y041-4985

Molecular Formula

C22H21N3O4 (C22 H21 N3 O4)

Compound Name

methyl 2-[2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetamido]-3-phenylpropanoate

IUPAC name

methyl (2S)-2-[2-(6-oxo-3-phenyl-16-dihydropyridazin-1-yl)acetamido]-3-phenylpropanoate

SMILES

COC(C(Cc1ccccc1)NC(CN(C(C=C1)=O)N=C1c1ccccc1)=O)=O

InChI

InChI=1S/C22H21N3O4/c1-29-22(28)19(14-16-8-4-2-5-9-16)23-20(26)15-25-21(27)13-12-18(24-25)17-10-6-3-7-11-17/h2-13,19H,14-15H2,1H3,(H,23,26)/t19-/m0/s1

InChI Key

YBZPQMMSQCOTBA-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.277

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-2.64

Polar Surface Area

73.823

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with Y041-4985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4985?
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What is the minimum amount of Y041-4985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4985
  • 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 Y041-4985 available by request