4218-0015 Screening compound: 1-(acetyloxy)-1-butyl-3-methyl-2-phenyl-14-dihydro-2lambda541-benzodiazaborinin-2-ylium-1-uide

4218-0015 Screening compound: 1-(acetyloxy)-1-butyl-3-methyl-2-phenyl-14-dihydro-2lambda541-benzodiazaborinin-2-ylium-1-uide
4218-0015 Screening compound: 1-(acetyloxy)-1-butyl-3-methyl-2-phenyl-14-dihydro-2lambda541-benzodiazaborinin-2-ylium-1-uide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4218-0015
1-(acetyloxy)-1-butyl-3-methyl-2-phenyl-14-dihydro-2lambda541-benzodiazaborinin-2-ylium-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

4218-0015

Molecular Formula

C20H25BN2O2 (C20 H25 BN2 O2)

Compound Name

1-(acetyloxy)-1-butyl-3-methyl-2-phenyl-14-dihydro-2lambda541-benzodiazaborinin-2-ylium-1-uide

IUPAC name

1-(acetyloxy)-1-butyl-3-methyl-2-phenyl-14-dihydro-2lambda541-benzodiazaborinin-2-ylium-1-uide

SMILES

CCCC[B-]1([N+](c2ccccc2)=C(C)Nc2c1cccc2)OC(C)=O

InChI

InChI=1S/C20H25BN2O2/c1-4-5-15-21(25-17(3)24)19-13-9-10-14-20(19)22-16(2)23(21)18-11-7-6-8-12-18/h6-14,22H,4-5,15H2,1-3H3/t21-/m0/s1

InChI Key

HFYGLWQYFRHXTN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01575824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.51

Polar Surface Area

35.894

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

-6.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 4218-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4218-0015?
Check Price and Availability of 4218-0015, 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 4218-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4218-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4218-0015
  • 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 4218-0015 available by request