Y042-2095 Screening compound: 5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[4-(propan-2-yl)phenyl]imidazolidine-2,4-dione

Y042-2095 Screening compound: 5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[4-(propan-2-yl)phenyl]imidazolidine-2,4-dione
Y042-2095 Screening compound: 5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[4-(propan-2-yl)phenyl]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2095
5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[4-(propan-2-yl)phenyl]imidazolidine-2,4-dione

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

Y042-2095

Molecular Formula

C20H28N4O3 (C20 H28 N4 O3)

Compound Name

5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[4-(propan-2-yl)phenyl]imidazolidine-2,4-dione

IUPAC name

5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[4-(propan-2-yl)phenyl]imidazolidine-24-dione

SMILES

CC(C)c(cc1)ccc1N(C(C(CCC(N1CCN(C)CC1)=O)N1)=O)C1=O

InChI

InChI=1S/C20H28N4O3/c1-14(2)15-4-6-16(7-5-15)24-19(26)17(21-20(24)27)8-9-18(25)23-12-10-22(3)11-13-23/h4-7,14,17H,8-13H2,1-3H3,(H,21,27)/t17-/m1/s1

InChI Key

NKZSTODVONOKOE-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD30835893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.251

Distribution Coefficient, logD

1.004

Water Solubility, LogSw

-2.13

Polar Surface Area

60.922

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

Y042-2095 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y042-2095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2095?
Check Price and Availability of Y042-2095, 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 Y042-2095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2095
  • 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 Y042-2095 available by request