3456-0970 Screening compound: (E)-N-ethyl-N'-(3-fluorophenyl)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

3456-0970 Screening compound: (E)-N-ethyl-N'-(3-fluorophenyl)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide
3456-0970 Screening compound: (E)-N-ethyl-N'-(3-fluorophenyl)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-0970
(E)-N-ethyl-N'-(3-fluorophenyl)-1-{[1-(4-methoxyphenyl)-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

3456-0970

Molecular Formula

C20H20FN3O3S (C20 H20 FN3 O3 S)

Compound Name

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

IUPAC name

(E)-N-ethyl-N'-(3-fluorophenyl)-1-{[1-(4-methoxyphenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

SMILES

CCN/C(/SC(CC(N1c(cc2)ccc2OC)=O)C1=O)=N\c1cc(F)ccc1

InChI

InChI=1S/C20H20FN3O3S/c1-3-22-20(23-14-6-4-5-13(21)11-14)28-17-12-18(25)24(19(17)26)15-7-9-16(27-2)10-8-15/h4-11,17H,3,12H2,1-2H3,(H,22,23)/t17-/m0/s1

InChI Key

WHKHIRTWRXMCAU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01450571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.784

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.32

Polar Surface Area

55.209

Acid Dissociation Constant (pKa)

14.98

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3456-0970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-0970?
Check Price and Availability of 3456-0970, 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 3456-0970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-0970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-0970
  • 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 3456-0970 available by request