Y040-9849 Screening compound: methyl 2-{1-[2-(1-oxo-1,2-dihydrophthalazin-2-yl)acetyl]piperidin-4-yl}acetate

Y040-9849 Screening compound: methyl 2-{1-[2-(1-oxo-1,2-dihydrophthalazin-2-yl)acetyl]piperidin-4-yl}acetate
Y040-9849 Screening compound: methyl 2-{1-[2-(1-oxo-1,2-dihydrophthalazin-2-yl)acetyl]piperidin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9849
methyl 2-{1-[2-(1-oxo-1,2-dihydrophthalazin-2-yl)acetyl]piperidin-4-yl}acetate

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

Y040-9849

Molecular Formula

C18H21N3O4 (C18 H21 N3 O4)

Compound Name

methyl 2-{1-[2-(1-oxo-1,2-dihydrophthalazin-2-yl)acetyl]piperidin-4-yl}acetate

IUPAC name

methyl 2-{1-[2-(1-oxo-12-dihydrophthalazin-2-yl)acetyl]piperidin-4-yl}acetate

SMILES

COC(CC(CC1)CCN1C(CN1N=Cc(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C18H21N3O4/c1-25-17(23)10-13-6-8-20(9-7-13)16(22)12-21-18(24)15-5-3-2-4-14(15)11-19-21/h2-5,11,13H,6-10,12H2,1H3

InChI Key

GZGOORBWMHIBMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18799630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.654

Distribution Coefficient, logD

0.654

Water Solubility, LogSw

-2.27

Polar Surface Area

65.201

Acid Dissociation Constant (pKa)

18.30

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

Y040-9849 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-9849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9849?
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What is the minimum amount of Y040-9849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9849
  • 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 Y040-9849 available by request