0094-0001 Screening compound: (12-{[(phenylcarbamoyl)oxy]methyl}-1,2,3,4,5,6,7,8,9,10-decaboracyclododecan-11-yl)methyl N-phenylcarbamate

0094-0001 Screening compound: (12-{[(phenylcarbamoyl)oxy]methyl}-1,2,3,4,5,6,7,8,9,10-decaboracyclododecan-11-yl)methyl N-phenylcarbamate
0094-0001 Screening compound: (12-{[(phenylcarbamoyl)oxy]methyl}-1,2,3,4,5,6,7,8,9,10-decaboracyclododecan-11-yl)methyl N-phenylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0094-0001
(12-{[(phenylcarbamoyl)oxy]methyl}-1,2,3,4,5,6,7,8,9,10-decaboracyclododecan-11-yl)methyl 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

0094-0001

Molecular Formula

C18H28B10N2O4 (C18 H28 B10 N2 O4)

Compound Name

(12-{[(phenylcarbamoyl)oxy]methyl}-1,2,3,4,5,6,7,8,9,10-decaboracyclododecan-11-yl)methyl N-phenylcarbamate

IUPAC name

(12-{[(phenylcarbamoyl)oxy]methyl}-12345678910-decaboracyclododecan-11-yl)methyl N-phenylcarbamate

SMILES

O=C(Nc1ccccc1)OCC(BBBBBBBBBB1)C1COC(Nc1ccccc1)=O

InChI

InChI=1S/C18H28B10N2O4/c31-17(29-13-7-3-1-4-8-13)33-11-15-16(20-22-24-26-28-27-25-23-21-19-15)12-34-18(32)30-14-9-5-2-6-10-14/h1-10,15-16,19-28H,11-12H2,(H,29,31)(H,30,32)

InChI Key

GVPIYIKJRAYILZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28992292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

12.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.427

Distribution Coefficient, logD

3.427

Water Solubility, LogSw

-3.43

Polar Surface Area

63.857

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 0094-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0094-0001?
Check Price and Availability of 0094-0001, 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 0094-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0094-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0094-0001
  • 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 0094-0001 available by request