3772-5273 Screening compound: 3-[(4-bromophenoxy)methyl]-289-trioxa-5lambda5-aza-1-boratricyclo[3.3.3.0^{15}]undecan-5-ylium-1-uide

3772-5273 Screening compound: 3-[(4-bromophenoxy)methyl]-289-trioxa-5lambda5-aza-1-boratricyclo[3.3.3.0^{15}]undecan-5-ylium-1-uide
3772-5273 Screening compound: 3-[(4-bromophenoxy)methyl]-289-trioxa-5lambda5-aza-1-boratricyclo[3.3.3.0^{15}]undecan-5-ylium-1-uide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-5273
3-[(4-bromophenoxy)methyl]-289-trioxa-5lambda5-aza-1-boratricyclo[3.3.3.0^{15}]undecan-5-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

3772-5273

Molecular Formula

C13H17BBrNO4 (C13 H17 BBrNO4)

Compound Name

3-[(4-bromophenoxy)methyl]-289-trioxa-5lambda5-aza-1-boratricyclo[3.3.3.0^{15}]undecan-5-ylium-1-uide

IUPAC name

3-[(4-bromophenoxy)methyl]-289-trioxa-5lambda5-aza-1-boratricyclo[3.3.3.0^{15}]undecan-5-ylium-1-uide

SMILES

Brc(cc1)ccc1OCC1O[B-]2(OCC3)OCC[N+]23C1

InChI

InChI=1S/C13H17BBrNO4/c15-11-1-3-12(4-2-11)17-10-13-9-16-5-7-18-14(16,20-13)19-8-6-16/h1-4,13H,5-10H2/t13-,14?,16?/m1/s1

InChI Key

OSJNPTYVZKBLMW-VQCLRJIVSA-N

MDL Number (MFCD)

MFCD00422182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.991

Distribution Coefficient, logD

1.991

Water Solubility, LogSw

-2.03

Polar Surface Area

32.059

Acid Dissociation Constant (pKa)

26.23

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with 3772-5273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-5273?
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What is the minimum amount of 3772-5273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-5273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-5273
  • 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 3772-5273 available by request