1309-2219 Screening compound: [5-(azepan-1-yl)-2-[(1E)-2-phenylethenyl]-1,3-oxazol-4-yl]triphenylphosphanium

1309-2219 Screening compound: [5-(azepan-1-yl)-2-[(1E)-2-phenylethenyl]-1,3-oxazol-4-yl]triphenylphosphanium
1309-2219 Screening compound: [5-(azepan-1-yl)-2-[(1E)-2-phenylethenyl]-1,3-oxazol-4-yl]triphenylphosphanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-2219
[5-(azepan-1-yl)-2-[(1E)-2-phenylethenyl]-1,3-oxazol-4-yl]triphenylphosphanium

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

1309-2219

Molecular Formula

C35H34N2OP (C35 H34 N2 OP)

Compound Name

[5-(azepan-1-yl)-2-[(1E)-2-phenylethenyl]-1,3-oxazol-4-yl]triphenylphosphanium

IUPAC name

[5-(azepan-1-yl)-2-[(1E)-2-phenylethenyl]-13-oxazol-4-yl]triphenylphosphanium

SMILES

C(CCC1)CCN1c(oc(/C=C/c1ccccc1)n1)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C35H34N2OP/c1-2-16-28-37(27-15-1)35-34(36-33(38-35)26-25-29-17-7-3-8-18-29)39(30-19-9-4-10-20-30,31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-14,17-26H,1-2,15-16,27-28H2/q+1

InChI Key

GEQDPQAYQGOZRY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

529.64

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

9.453

Distribution Coefficient, logD

9.453

Water Solubility, LogSw

-6.25

Polar Surface Area

21.111

Acid Dissociation Constant (pKa)

27.64

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.10

References: we are preparing a list of scientific research reports with 1309-2219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-2219?
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What is the minimum amount of 1309-2219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-2219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-2219
  • 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 1309-2219 available by request