Y040-8898 Screening compound: N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Y040-8898 Screening compound: N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Y040-8898 Screening compound: N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8898
N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide

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

Y040-8898

Molecular Formula

C24H29N3O5 (C24 H29 N3 O5)

Compound Name

N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CCCNC(C1Oc(cccc2)c2OC1)=O)=O

InChI

InChI=1S/C24H29N3O5/c1-30-19-10-8-18(9-11-19)26-13-15-27(16-14-26)23(28)7-4-12-25-24(29)22-17-31-20-5-2-3-6-21(20)32-22/h2-3,5-6,8-11,22H,4,7,12-17H2,1H3,(H,25,29)/t22-/m0/s1

InChI Key

JQIXWQJMLVBQFP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD12201134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.249

Distribution Coefficient, logD

2.248

Water Solubility, LogSw

-2.64

Polar Surface Area

67.127

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with Y040-8898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8898?
Check Price and Availability of Y040-8898, 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 Y040-8898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8898
  • 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 Y040-8898 available by request