8005-5564 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}amino)hexyl]urea

8005-5564 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}amino)hexyl]urea
8005-5564 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}amino)hexyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5564
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}amino)hexyl]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

8005-5564

Molecular Formula

C24H30N4O6 (C24 H30 N4 O6)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[6-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}amino)hexyl]urea

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-1-[6-({[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}amino)hexyl]urea

SMILES

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

InChI

InChI=1S/C24H30N4O6/c29-23(27-13-17-5-7-19-21(11-17)33-15-31-19)25-9-3-1-2-4-10-26-24(30)28-14-18-6-8-20-22(12-18)34-16-32-20/h5-8,11-12H,1-4,9-10,13-16H2,(H2,25,27,29)(H2,26,28,30)

InChI Key

HTJYAEHZOFFWGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00321524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.189

Distribution Coefficient, logD

2.189

Water Solubility, LogSw

-2.73

Polar Surface Area

104.318

Acid Dissociation Constant (pKa)

15.81

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 8005-5564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5564?
Check Price and Availability of 8005-5564, 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 8005-5564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5564
  • 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 8005-5564 available by request