0094-0003 Screening compound: 12-benzyl-1,2,3,4,5,6,7,8,9,10-decaboracyclododecan-11-yl N-phenylcarbamate

0094-0003 Screening compound: 12-benzyl-1,2,3,4,5,6,7,8,9,10-decaboracyclododecan-11-yl N-phenylcarbamate
0094-0003 Screening compound: 12-benzyl-1,2,3,4,5,6,7,8,9,10-decaboracyclododecan-11-yl N-phenylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0094-0003
12-benzyl-1,2,3,4,5,6,7,8,9,10-decaboracyclododecan-11-yl N-phenylcarbamate

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

0094-0003

Molecular Formula

C16H25B10NO2 (C16 H25 B10 NO2)

Compound Name

12-benzyl-1,2,3,4,5,6,7,8,9,10-decaboracyclododecan-11-yl N-phenylcarbamate

IUPAC name

12-benzyl-12345678910-decaboracyclododecan-11-yl N-phenylcarbamate

SMILES

O=C(Nc1ccccc1)OC(BBBBBBBBBB1)C1Cc1ccccc1

InChI

InChI=1S/C16H25B10NO2/c28-16(27-13-9-5-2-6-10-13)29-15-14(11-12-7-3-1-4-8-12)17-19-21-23-25-26-24-22-20-18-15/h1-10,14-15,17-26H,11H2,(H,27,28)

InChI Key

LWXKJFDVMUQVAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28992293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

11.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-4.12

Polar Surface Area

32.012

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 0094-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0094-0003?
Check Price and Availability of 0094-0003, 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 0094-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0094-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0094-0003
  • 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 0094-0003 available by request