D264-0793 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-[2-(4-propylpiperazin-1-yl)ethyl]urea

D264-0793 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-[2-(4-propylpiperazin-1-yl)ethyl]urea
D264-0793 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-[2-(4-propylpiperazin-1-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D264-0793
3-(2H-1,3-benzodioxol-5-yl)-1-[2-(4-propylpiperazin-1-yl)ethyl]urea

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

D264-0793

Molecular Formula

C17H26N4O3 (C17 H26 N4 O3)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-1-[2-(4-propylpiperazin-1-yl)ethyl]urea

IUPAC name

3-(2H-13-benzodioxol-5-yl)-1-[2-(4-propylpiperazin-1-yl)ethyl]urea

SMILES

CCCN1CCN(CCNC(Nc(cc2)cc3c2OCO3)=O)CC1

InChI

InChI=1S/C17H26N4O3/c1-2-6-20-8-10-21(11-9-20)7-5-18-17(22)19-14-3-4-15-16(12-14)24-13-23-15/h3-4,12H,2,5-11,13H2,1H3,(H2,18,19,22)

InChI Key

ABFBCLZDYSSDKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09875615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.761

Distribution Coefficient, logD

0.591

Water Solubility, LogSw

-2.38

Polar Surface Area

58.593

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

8.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

D264-0793 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D264-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D264-0793?
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What is the minimum amount of D264-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D264-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D264-0793
  • 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 D264-0793 available by request