7404-0008 Screening compound: 9-(methoxycarbonyl)-3,3,7,8-tetramethyl-1H,3H,5H-[1,3]dioxepino[5,6-c]pyridin-7-ium

7404-0008 Screening compound: 9-(methoxycarbonyl)-3,3,7,8-tetramethyl-1H,3H,5H-[1,3]dioxepino[5,6-c]pyridin-7-ium
7404-0008 Screening compound: 9-(methoxycarbonyl)-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 7404-0008
9-(methoxycarbonyl)-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

7404-0008

Molecular Formula

C14H20NO4 (C14 H20 NO4)

Compound Name

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

IUPAC name

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

SMILES

CC1(C)OCc2c(C(OC)=O)c(C)[n+](C)cc2CO1

InChI

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

InChI Key

CUHONNFNBNLTDL-UHFFFAOYSA-N

MDL Number (MFCD)

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

1.947

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-1.76

Polar Surface Area

39.884

Acid Dissociation Constant (pKa)

26.63

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 7404-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7404-0008?
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What is the minimum amount of 7404-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7404-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7404-0008
  • 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 7404-0008 available by request