2811-0015 Screening compound: 4-methyl-2,2-diphenyl-6-propyl-5,6-dihydro-2H-1,3,5,2-oxadiazaborinin-3-ium-2-uide

2811-0015 Screening compound: 4-methyl-2,2-diphenyl-6-propyl-5,6-dihydro-2H-1,3,5,2-oxadiazaborinin-3-ium-2-uide
2811-0015 Screening compound: 4-methyl-2,2-diphenyl-6-propyl-5,6-dihydro-2H-1,3,5,2-oxadiazaborinin-3-ium-2-uide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2811-0015
4-methyl-2,2-diphenyl-6-propyl-5,6-dihydro-2H-1,3,5,2-oxadiazaborinin-3-ium-2-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

2811-0015

Molecular Formula

C18H22BN2O (C18 H22 BN2 O)

Compound Name

4-methyl-2,2-diphenyl-6-propyl-5,6-dihydro-2H-1,3,5,2-oxadiazaborinin-3-ium-2-uide

IUPAC name

4-methyl-22-diphenyl-6-propyl-56-dihydro-2H-1352-oxadiazaborinin-3-ium-2-uide

SMILES

CCCC1O[B-](c2ccccc2)(c2ccccc2)[NH+]=C(C)N1

InChI

InChI=1S/C18H23BN2O/c1-3-10-18-20-15(2)21-19(22-18,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14,18,20-21H,3,10H2,1-2H3/t18-/m0/s1

InChI Key

NMGDRUACRYMHOP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01087103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.2

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

5.229

Water Solubility, LogSw

-5.24

Polar Surface Area

33.107

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

2811-0015 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 2811-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2811-0015?
Check Price and Availability of 2811-0015, 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 2811-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2811-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2811-0015
  • 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 2811-0015 available by request