Y204-0276 Screening compound: N~1~,N~5~-bis(1,3-benzodioxol-5-ylmethyl)pentanediamide

Y204-0276 Screening compound: N~1~,N~5~-bis(1,3-benzodioxol-5-ylmethyl)pentanediamide
Y204-0276 Screening compound: N~1~,N~5~-bis(1,3-benzodioxol-5-ylmethyl)pentanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-0276
N~1~,N~5~-bis(1,3-benzodioxol-5-ylmethyl)pentanediamide

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

Y204-0276

Molecular Formula

C21H22N2O6 (C21 H22 N2 O6)

Compound Name

N~1~,N~5~-bis(1,3-benzodioxol-5-ylmethyl)pentanediamide

IUPAC name

NN'-bis[(2H-13-benzodioxol-5-yl)methyl]pentanediamide

SMILES

O=C(CCCC(NCc(cc1)cc2c1OCO2)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H22N2O6/c24-20(22-10-14-4-6-16-18(8-14)28-12-26-16)2-1-3-21(25)23-11-15-5-7-17-19(9-15)29-13-27-17/h4-9H,1-3,10-13H2,(H,22,24)(H,23,25)

InChI Key

YVGQZZXMTMRCPF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.642

Distribution Coefficient, logD

1.642

Water Solubility, LogSw

-2.06

Polar Surface Area

83.141

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y204-0276 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y204-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-0276?
Check Price and Availability of Y204-0276, 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 Y204-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-0276
  • 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 Y204-0276 available by request