Y021-0480 Screening compound: 2-[1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetyl)-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide

Y021-0480 Screening compound: 2-[1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetyl)-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide
Y021-0480 Screening compound: 2-[1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetyl)-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0480
2-[1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetyl)-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide

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

Y021-0480

Molecular Formula

C32H35N5O6 (C32 H35 N5 O6)

Compound Name

2-[1-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetyl)-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide

IUPAC name

2-[1-(2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}acetyl)-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide

SMILES

O=C(CC(C(NCC1)=O)N1C(CN1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C32H35N5O6/c38-30(34-24-7-9-26(10-8-24)43-25-4-2-1-3-5-25)19-27-32(40)33-12-13-37(27)31(39)21-36-16-14-35(15-17-36)20-23-6-11-28-29(18-23)42-22-41-28/h1-11,18,27H,12-17,19-22H2,(H,33,40)(H,34,38)/t27-/m0/s1

InChI Key

REDITJJYTODDJY-MHZLTWQESA-N

MDL Number (MFCD)

MFCD09438411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.431

Distribution Coefficient, logD

1.599

Water Solubility, LogSw

-3.07

Polar Surface Area

95.195

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

Y021-0480 in Drug Discovery

Included in Screening Libraries

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

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 Y021-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0480?
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What is the minimum amount of Y021-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0480
  • 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 Y021-0480 available by request