1222-0110 Screening compound: [(2E)-3-(dimethylamino)-2-[4-(pentyloxy)phenyl]prop-2-en-1-ylidene]dimethylazanium

1222-0110 Screening compound: [(2E)-3-(dimethylamino)-2-[4-(pentyloxy)phenyl]prop-2-en-1-ylidene]dimethylazanium
1222-0110 Screening compound: [(2E)-3-(dimethylamino)-2-[4-(pentyloxy)phenyl]prop-2-en-1-ylidene]dimethylazanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1222-0110
[(2E)-3-(dimethylamino)-2-[4-(pentyloxy)phenyl]prop-2-en-1-ylidene]dimethylazanium

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

1222-0110

Molecular Formula

C18H29N2O (C18 H29 N2 O)

Compound Name

[(2E)-3-(dimethylamino)-2-[4-(pentyloxy)phenyl]prop-2-en-1-ylidene]dimethylazanium

IUPAC name

[(2E)-3-(dimethylamino)-2-[4-(pentyloxy)phenyl]prop-2-en-1-ylidene]dimethylazanium

SMILES

CCCCCOc(cc1)ccc1/C(/C=[N+](C)C)=C\N(C)C

InChI

InChI=1S/C18H29N2O/c1-6-7-8-13-21-18-11-9-16(10-12-18)17(14-19(2)3)15-20(4)5/h9-12,14-15H,6-8,13H2,1-5H3/q+1

InChI Key

KSMLBFMJLUCKTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00691421

Chemical and Physical Properties

Saltdata

ClO4-

Molecular Weight

289.44

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

3.598

Water Solubility, LogSw

-3.78

Polar Surface Area

22.766

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 1222-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1222-0110?
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What is the minimum amount of 1222-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1222-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1222-0110
  • 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 1222-0110 available by request