2504-0035 Screening compound: 5-acetyl-6-methyl-22-diphenyl-4-(trifluoromethyl)-23-dihydro-1lambda432-oxazaborinin-1-ylium-2-uide

2504-0035 Screening compound: 5-acetyl-6-methyl-22-diphenyl-4-(trifluoromethyl)-23-dihydro-1lambda432-oxazaborinin-1-ylium-2-uide
2504-0035 Screening compound: 5-acetyl-6-methyl-22-diphenyl-4-(trifluoromethyl)-23-dihydro-1lambda432-oxazaborinin-1-ylium-2-uide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2504-0035
5-acetyl-6-methyl-22-diphenyl-4-(trifluoromethyl)-23-dihydro-1lambda432-oxazaborinin-1-ylium-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

2504-0035

Molecular Formula

C19H17BF3NO2 (C19 H17 BF3 NO2)

Compound Name

5-acetyl-6-methyl-22-diphenyl-4-(trifluoromethyl)-23-dihydro-1lambda432-oxazaborinin-1-ylium-2-uide

IUPAC name

5-acetyl-6-methyl-22-diphenyl-4-(trifluoromethyl)-23-dihydro-1lambda432-oxazaborinin-1-ylium-2-uide

SMILES

CC(C1=C(C(F)(F)F)N[B-](c2ccccc2)(c2ccccc2)[O+]=C1C)=O

InChI

InChI=1S/C19H17BF3NO2/c1-13(25)17-14(2)26-20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)24-18(17)19(21,22)23/h3-12,24H,1-2H3

InChI Key

NOPSPXXJLJSWGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00810150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.16

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.780

Distribution Coefficient, logD

-0.764

Water Solubility, LogSw

-4.55

Polar Surface Area

31.191

Acid Dissociation Constant (pKa)

1.86

Base Dissociation Constant (pKb)

-4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 2504-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2504-0035?
Check Price and Availability of 2504-0035, 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 2504-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2504-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2504-0035
  • 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 2504-0035 available by request