5858-0016 Screening compound: 9-(acetyloxy)-3,3,7,8-tetramethyl-1H,3H,5H-[1,3]dioxepino[5,6-c]pyridin-7-ium

5858-0016 Screening compound: 9-(acetyloxy)-3,3,7,8-tetramethyl-1H,3H,5H-[1,3]dioxepino[5,6-c]pyridin-7-ium
5858-0016 Screening compound: 9-(acetyloxy)-3,3,7,8-tetramethyl-1H,3H,5H-[1,3]dioxepino[5,6-c]pyridin-7-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5858-0016
9-(acetyloxy)-3,3,7,8-tetramethyl-1H,3H,5H-[1,3]dioxepino[5,6-c]pyridin-7-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

5858-0016

Molecular Formula

C14H20NO4 (C14 H20 NO4)

Compound Name

9-(acetyloxy)-3,3,7,8-tetramethyl-1H,3H,5H-[1,3]dioxepino[5,6-c]pyridin-7-ium

IUPAC name

9-(acetyloxy)-3378-tetramethyl-1H3H5H-[13]dioxepino[56-c]pyridin-7-ium

SMILES

CC(C)(OCc1c[n+](C)c2C)OCc1c2OC(C)=O

InChI

InChI=1S/C14H20NO4/c1-9-13(19-10(2)16)12-8-18-14(3,4)17-7-11(12)6-15(9)5/h6H,7-8H2,1-5H3/q+1

InChI Key

IGXWUTRBFZLIEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828222

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

266.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.700

Distribution Coefficient, logD

1.700

Water Solubility, LogSw

-1.68

Polar Surface Area

39.634

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with 5858-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5858-0016?
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What is the minimum amount of 5858-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5858-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5858-0016
  • 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 5858-0016 available by request