1309-2221 Screening compound: triphenyl({2-[(1E)-2-phenylethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazol-4-yl})phosphanium

1309-2221 Screening compound: triphenyl({2-[(1E)-2-phenylethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazol-4-yl})phosphanium
1309-2221 Screening compound: triphenyl({2-[(1E)-2-phenylethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazol-4-yl})phosphanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-2221
triphenyl({2-[(1E)-2-phenylethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazol-4-yl})phosphanium

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

1309-2221

Molecular Formula

C33H30N2OP (C33 H30 N2 OP)

Compound Name

triphenyl({2-[(1E)-2-phenylethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazol-4-yl})phosphanium

IUPAC name

triphenyl({2-[(1E)-2-phenylethenyl]-5-(pyrrolidin-1-yl)-13-oxazol-4-yl})phosphanium

SMILES

C(CC1)CN1c(oc(/C=C/c1ccccc1)n1)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C33H30N2OP/c1-5-15-27(16-6-1)23-24-31-34-32(33(36-31)35-25-13-14-26-35)37(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-12,15-24H,13-14,25-26H2/q+1

InChI Key

ONQYCNKVXSUONX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01037807

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

501.59

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

8.665

Distribution Coefficient, logD

8.665

Water Solubility, LogSw

-6.27

Polar Surface Area

21.146

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

1309-2221 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1309-2221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-2221?
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What is the minimum amount of 1309-2221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-2221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-2221
  • 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 1309-2221 available by request