5926-0045 Screening compound: 4-{[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl}-4-methylmorpholin-4-ium

5926-0045 Screening compound: 4-{[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl}-4-methylmorpholin-4-ium
5926-0045 Screening compound: 4-{[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl}-4-methylmorpholin-4-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5926-0045
4-{[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl}-4-methylmorpholin-4-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

5926-0045

Molecular Formula

C18H24BrN2O4 (C18 H24 BrN2 O4)

Compound Name

4-{[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl}-4-methylmorpholin-4-ium

IUPAC name

4-{[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl}-4-methylmorpholin-4-ium

SMILES

CCOC(c(c1c2)c(C[N+]3(C)CCOCC3)n(C)c1cc(Br)c2O)=O

InChI

InChI=1S/C18H23BrN2O4/c1-4-25-18(23)17-12-9-16(22)13(19)10-14(12)20(2)15(17)11-21(3)5-7-24-8-6-21/h9-10H,4-8,11H2,1-3H3/p+1

InChI Key

OUMZDAFUYMQSQU-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD03681515

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

412.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

2.274

Water Solubility, LogSw

-2.09

Polar Surface Area

47.648

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5926-0045 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5926-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5926-0045?
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What is the minimum amount of 5926-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5926-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5926-0045
  • 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 5926-0045 available by request