8001-2838 Screening compound: 1-{2-methyl-1lambda5-azatricyclo[3.3.1.1^{37}]decan-1-ylium-1-yl}-1-boratricyclo[3.3.1.1^{37}]decan-1-uide

8001-2838 Screening compound: 1-{2-methyl-1lambda5-azatricyclo[3.3.1.1^{37}]decan-1-ylium-1-yl}-1-boratricyclo[3.3.1.1^{37}]decan-1-uide
8001-2838 Screening compound: 1-{2-methyl-1lambda5-azatricyclo[3.3.1.1^{37}]decan-1-ylium-1-yl}-1-boratricyclo[3.3.1.1^{37}]decan-1-uide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-2838
1-{2-methyl-1lambda5-azatricyclo[3.3.1.1^{37}]decan-1-ylium-1-yl}-1-boratricyclo[3.3.1.1^{37}]decan-1-uide

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

8001-2838

Molecular Formula

C19H32BN (C19 H32 BN)

Compound Name

1-{2-methyl-1lambda5-azatricyclo[3.3.1.1^{37}]decan-1-ylium-1-yl}-1-boratricyclo[3.3.1.1^{37}]decan-1-uide

IUPAC name

1-{2-methyl-1lambda5-azatricyclo[3.3.1.1^{37}]decan-1-ylium-1-yl}-1-boratricyclo[3.3.1.1^{37}]decan-1-uide

SMILES

CC1[N+]2([B-](C3)(C4)CC5CC4CC3C5)CC(C3)CC1CC3C2

InChI

InChI=1S/C19H32BN/c1-13-19-6-17-5-18(7-19)12-21(13,11-17)20-8-14-2-15(9-20)4-16(3-14)10-20/h13-19H,2-12H2,1H3

InChI Key

IXEKVQPKFZIJSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.28

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.259

Distribution Coefficient, logD

5.259

Water Solubility, LogSw

-5.20

Polar Surface Area

4.639

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

References: we are preparing a list of scientific research reports with 8001-2838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-2838?
Check Price and Availability of 8001-2838, 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 8001-2838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-2838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-2838
  • 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 8001-2838 available by request