Y041-4987 Screening compound: methyl 2-{2-[3-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}-3-phenylpropanoate

Y041-4987 Screening compound: methyl 2-{2-[3-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}-3-phenylpropanoate
Y041-4987 Screening compound: methyl 2-{2-[3-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4987
methyl 2-{2-[3-(4-fluorophenyl)-6-oxo-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

Y041-4987

Molecular Formula

C22H20FN3O4 (C22 H20 FN3 O4)

Compound Name

methyl 2-{2-[3-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}-3-phenylpropanoate

IUPAC name

methyl (2S)-2-{2-[3-(4-fluorophenyl)-6-oxo-16-dihydropyridazin-1-yl]acetamido}-3-phenylpropanoate

SMILES

COC(C(Cc1ccccc1)NC(CN(C(C=C1)=O)N=C1c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C22H20FN3O4/c1-30-22(29)19(13-15-5-3-2-4-6-15)24-20(27)14-26-21(28)12-11-18(25-26)16-7-9-17(23)10-8-16/h2-12,19H,13-14H2,1H3,(H,24,27)/t19-/m0/s1

InChI Key

ALZAJVLQLOPZHD-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.42

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

2.411

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-2.70

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

Y041-4987 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y041-4987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4987?
Check Price and Availability of Y041-4987, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-4987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4987
  • 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 Y041-4987 available by request