L566-0452 Screening compound: 3-METHYL-N3-(4-METHYLBENZYL)-N1-(TETRAHYDRO-2-FURANYLMETHYL)TETRAHYDRO-1

L566-0452 Screening compound: 3-METHYL-N3-(4-METHYLBENZYL)-N1-(TETRAHYDRO-2-FURANYLMETHYL)TETRAHYDRO-1
L566-0452 Screening compound: 3-METHYL-N3-(4-METHYLBENZYL)-N1-(TETRAHYDRO-2-FURANYLMETHYL)TETRAHYDRO-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound L566-0452
3-METHYL-N3-(4-METHYLBENZYL)-N1-(TETRAHYDRO-2-FURANYLMETHYL)TETRAHYDRO-1

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

L566-0452

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

3-METHYL-N3-(4-METHYLBENZYL)-N1-(TETRAHYDRO-2-FURANYLMETHYL)TETRAHYDRO-1

IUPAC name

n/a

SMILES

CC(CCC1)(CN1C(NCC1OCCC1)=O)C(NCc1ccc(C)cc1)=O

InChI

InChI=1S/C21H31N3O3/c1-16-6-8-17(9-7-16)13-22-19(25)21(2)10-4-11-24(15-21)20(26)23-14-18-5-3-12-27-18/h6-9,18H,3-5,10-15H2,1-2H3,(H,22,25)(H,23,26)

InChI Key

UKQFOYLQHDYTSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27463000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.978

Distribution Coefficient, logD

1.978

Water Solubility, LogSw

-2.48

Polar Surface Area

60.031

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

L566-0452 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L566-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L566-0452?
Check Price and Availability of L566-0452, 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 L566-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L566-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L566-0452
  • 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 L566-0452 available by request