8009-5204 Screening compound: (E)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-1-{[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

8009-5204 Screening compound: (E)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-1-{[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide
8009-5204 Screening compound: (E)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-1-{[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5204
(E)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-1-{[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

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

8009-5204

Molecular Formula

C23H26FN3O4S (C23 H26 FN3 O4 S)

Compound Name

(E)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-1-{[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

IUPAC name

(E)-N'-[2-(34-dimethoxyphenyl)ethyl]-N-ethyl-1-{[1-(2-fluorophenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

SMILES

CCN/C(/SC(CC(N1c(cccc2)c2F)=O)C1=O)=N\CCc(cc1)cc(OC)c1OC

InChI

InChI=1S/C23H26FN3O4S/c1-4-25-23(26-12-11-15-9-10-18(30-2)19(13-15)31-3)32-20-14-21(28)27(22(20)29)17-8-6-5-7-16(17)24/h5-10,13,20H,4,11-12,14H2,1-3H3,(H,25,26)/t20-/m0/s1

InChI Key

CCWAZUDJXXWRCT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01629085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.737

Distribution Coefficient, logD

2.501

Water Solubility, LogSw

-3.27

Polar Surface Area

62.985

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with 8009-5204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5204?
Check Price and Availability of 8009-5204, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8009-5204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5204
  • 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 8009-5204 available by request