2895-0319 Screening compound: 2-(ethoxycarbonyl)-4-heptyl-3,7,8-trimethyl-6H-pyrrolo[3,2-f]indolizin-1-ium

2895-0319 Screening compound: 2-(ethoxycarbonyl)-4-heptyl-3,7,8-trimethyl-6H-pyrrolo[3,2-f]indolizin-1-ium
2895-0319 Screening compound: 2-(ethoxycarbonyl)-4-heptyl-3,7,8-trimethyl-6H-pyrrolo[3,2-f]indolizin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2895-0319
2-(ethoxycarbonyl)-4-heptyl-3,7,8-trimethyl-6H-pyrrolo[3,2-f]indolizin-1-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

2895-0319

Molecular Formula

C23H33N2O2 (C23 H33 N2 O2)

Compound Name

2-(ethoxycarbonyl)-4-heptyl-3,7,8-trimethyl-6H-pyrrolo[3,2-f]indolizin-1-ium

IUPAC name

2-(ethoxycarbonyl)-4-heptyl-378-trimethyl-6H-pyrrolo[32-f]indolizin-1-ium

SMILES

CCCCCCCC(N(CC(C)=C1C)C1=C1)=C2C1=[NH+]C(C(OCC)=O)=C2C

InChI

InChI=1S/C23H32N2O2/c1-6-8-9-10-11-12-19-21-17(5)22(23(26)27-7-2)24-18(21)13-20-16(4)15(3)14-25(19)20/h13H,6-12,14H2,1-5H3/p+1

InChI Key

RUCHKGMICUIBSD-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD02926788

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

369.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.428

Distribution Coefficient, logD

6.428

Water Solubility, LogSw

-5.48

Polar Surface Area

32.563

Acid Dissociation Constant (pKa)

26.41

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

2895-0319 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2895-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2895-0319?
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What is the minimum amount of 2895-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2895-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2895-0319
  • 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 2895-0319 available by request