3886-1250 Screening compound: 5-methyl-1-{[4-(propan-2-yloxy)benzoyloxy]methyl}-decahydroquinolizin-5-ium

3886-1250 Screening compound: 5-methyl-1-{[4-(propan-2-yloxy)benzoyloxy]methyl}-decahydroquinolizin-5-ium
3886-1250 Screening compound: 5-methyl-1-{[4-(propan-2-yloxy)benzoyloxy]methyl}-decahydroquinolizin-5-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 3886-1250
5-methyl-1-{[4-(propan-2-yloxy)benzoyloxy]methyl}-decahydroquinolizin-5-ium

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

3886-1250

Molecular Formula

C21H32NO3 (C21 H32 NO3)

Compound Name

5-methyl-1-{[4-(propan-2-yloxy)benzoyloxy]methyl}-decahydroquinolizin-5-ium

IUPAC name

(1R)-5-methyl-1-{[4-(propan-2-yloxy)benzoyloxy]methyl}-decahydroquinolizin-5-ium

SMILES

CC(C)Oc(cc1)ccc1C(OCC1C(CCCC2)[N+]2(C)CCC1)=O

InChI

InChI=1S/C21H32NO3/c1-16(2)25-19-11-9-17(10-12-19)21(23)24-15-18-7-6-14-22(3)13-5-4-8-20(18)22/h9-12,16,18,20H,4-8,13-15H2,1-3H3/q+1/t18-,20?,22?/m1/s1

InChI Key

XGTLNLLQOKXQNE-HOHBBMLPSA-N

MDL Number (MFCD)

MFCD00609970

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

346.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-3.93

Polar Surface Area

27.769

Acid Dissociation Constant (pKa)

25.31

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 3886-1250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3886-1250?
Check Price and Availability of 3886-1250, 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 3886-1250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3886-1250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3886-1250
  • 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 3886-1250 available by request