2421-1111 Screening compound: 3-ethyl-2-[(1E)-3-[(2Z)-3-ethyl-5-phenyl-2,3-dihydro-1,3-benzoxazol-2-ylidene]prop-1-en-1-yl]-5-phenyl-1,3-benzoxazol-3-ium

2421-1111 Screening compound: 3-ethyl-2-[(1E)-3-[(2Z)-3-ethyl-5-phenyl-2,3-dihydro-1,3-benzoxazol-2-ylidene]prop-1-en-1-yl]-5-phenyl-1,3-benzoxazol-3-ium
2421-1111 Screening compound: 3-ethyl-2-[(1E)-3-[(2Z)-3-ethyl-5-phenyl-2,3-dihydro-1,3-benzoxazol-2-ylidene]prop-1-en-1-yl]-5-phenyl-1,3-benzoxazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2421-1111
3-ethyl-2-[(1E)-3-[(2Z)-3-ethyl-5-phenyl-2,3-dihydro-1,3-benzoxazol-2-ylidene]prop-1-en-1-yl]-5-phenyl-1,3-benzoxazol-3-ium

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

2421-1111

Molecular Formula

C33H29N2O2 (C33 H29 N2 O2)

Compound Name

3-ethyl-2-[(1E)-3-[(2Z)-3-ethyl-5-phenyl-2,3-dihydro-1,3-benzoxazol-2-ylidene]prop-1-en-1-yl]-5-phenyl-1,3-benzoxazol-3-ium

IUPAC name

3-ethyl-2-[(1E)-3-[(2Z)-3-ethyl-5-phenyl-23-dihydro-13-benzoxazol-2-ylidene]prop-1-en-1-yl]-5-phenyl-13-benzoxazol-3-ium

SMILES

CCN1c(cc(cc2)-c3ccccc3)c2O/C1=C\C=C\c1[n+](CC)c(cc(cc2)-c3ccccc3)c2o1

InChI

InChI=1S/C33H29N2O2/c1-3-34-28-22-26(24-12-7-5-8-13-24)18-20-30(28)36-32(34)16-11-17-33-35(4-2)29-23-27(19-21-31(29)37-33)25-14-9-6-10-15-25/h5-23H,3-4H2,1-2H3/q+1

InChI Key

KRPBHPUNSXWOFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00643235

Chemical and Physical Properties

Saltdata

C2H5SO4-

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.829

Distribution Coefficient, logD

8.829

Water Solubility, LogSw

-5.86

Polar Surface Area

16.925

Acid Dissociation Constant (pKa)

26.39

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

2421-1111 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with 2421-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2421-1111?
Check Price and Availability of 2421-1111, 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 2421-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2421-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2421-1111
  • 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 2421-1111 available by request