3686-0044 Screening compound: 1,5-di-tert-butyl-1,5-diazocane-3,7-diol

3686-0044 Screening compound: 1,5-di-tert-butyl-1,5-diazocane-3,7-diol
3686-0044 Screening compound: 1,5-di-tert-butyl-1,5-diazocane-3,7-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3686-0044
1,5-di-tert-butyl-1,5-diazocane-3,7-diol

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

3686-0044

Molecular Formula

C14H30N2O2 (C14 H30 N2 O2)

Compound Name

1,5-di-tert-butyl-1,5-diazocane-3,7-diol

IUPAC name

15-di-tert-butyl-15-diazocane-37-diol

SMILES

CC(C)(C)N(CC(CN(C1)C(C)(C)C)O)CC1O

InChI

InChI=1S/C14H30N2O2/c1-13(2,3)15-7-11(17)9-16(14(4,5)6)10-12(18)8-15/h11-12,17-18H,7-10H2,1-6H3

InChI Key

MWUZTVKBNYOPLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.264

Distribution Coefficient, logD

0.570

Water Solubility, LogSw

-0.81

Polar Surface Area

40.394

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

References: we are preparing a list of scientific research reports with 3686-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3686-0044?
Check Price and Availability of 3686-0044, 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 3686-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3686-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3686-0044
  • 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 3686-0044 available by request