3320-0158 Screening compound: 3-(phenoxymethyl)-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane

3320-0158 Screening compound: 3-(phenoxymethyl)-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
3320-0158 Screening compound: 3-(phenoxymethyl)-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound 3320-0158
3-(phenoxymethyl)-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane

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

3320-0158

Molecular Formula

C13H18BNO4 (C13 H18 BNO4)

Compound Name

3-(phenoxymethyl)-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane

IUPAC name

3-(phenoxymethyl)-289-trioxa-5-aza-1-borabicyclo[3.3.3]undecane

SMILES

C(C1OB(OCC2)OCCN2C1)Oc1ccccc1

InChI

InChI=1S/C13H18BNO4/c1-2-4-12(5-3-1)16-11-13-10-15-6-8-17-14(19-13)18-9-7-15/h1-5,13H,6-11H2/t13-/m1/s1

InChI Key

UAMHQZVJSFRYDH-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00484586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.1

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.197

Distribution Coefficient, logD

1.121

Water Solubility, LogSw

-1.37

Polar Surface Area

38.569

Acid Dissociation Constant (pKa)

26.23

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

3320-0158 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3320-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3320-0158?
Check Price and Availability of 3320-0158, 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 3320-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3320-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3320-0158
  • 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 3320-0158 available by request