8018-4774 Screening compound: (1Z)-1-{2-[3-(4-fluorobenzenesulfonyl)-1,3-diazinan-1-yl]-2-oxoethyl}-2-methoxydiazen-1-ium-1-olate

8018-4774 Screening compound: (1Z)-1-{2-[3-(4-fluorobenzenesulfonyl)-1,3-diazinan-1-yl]-2-oxoethyl}-2-methoxydiazen-1-ium-1-olate
8018-4774 Screening compound: (1Z)-1-{2-[3-(4-fluorobenzenesulfonyl)-1,3-diazinan-1-yl]-2-oxoethyl}-2-methoxydiazen-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4774
(1Z)-1-{2-[3-(4-fluorobenzenesulfonyl)-1,3-diazinan-1-yl]-2-oxoethyl}-2-methoxydiazen-1-ium-1-olate

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

8018-4774

Molecular Formula

C13H17FN4O5S (C13 H17 FN4 O5 S)

Compound Name

(1Z)-1-{2-[3-(4-fluorobenzenesulfonyl)-1,3-diazinan-1-yl]-2-oxoethyl}-2-methoxydiazen-1-ium-1-olate

IUPAC name

(1Z)-1-{2-[3-(4-fluorobenzenesulfonyl)-13-diazinan-1-yl]-2-oxoethyl}-2-methoxydiazen-1-ium-1-olate

SMILES

CO/N=[N+](/CC(N(CCC1)CN1S(c(cc1)ccc1F)(=O)=O)=O)\[O-]

InChI

InChI=1S/C13H17FN4O5S/c1-23-15-18(20)9-13(19)16-7-2-8-17(10-16)24(21,22)12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3

InChI Key

ORIFUWXCDRNEBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.468

Distribution Coefficient, logD

0.468

Water Solubility, LogSw

-2.31

Polar Surface Area

89.450

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with 8018-4774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4774?
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What is the minimum amount of 8018-4774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4774
  • 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 8018-4774 available by request