3669-1351 Screening compound: ethyl 2-(2,6-dichloro-4-{[(5E)-1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate

3669-1351 Screening compound: ethyl 2-(2,6-dichloro-4-{[(5E)-1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
3669-1351 Screening compound: ethyl 2-(2,6-dichloro-4-{[(5E)-1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3669-1351
ethyl 2-(2,6-dichloro-4-{[(5E)-1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate

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

3669-1351

Molecular Formula

C21H15Cl2FN2O6 (C21 H15 Cl2 FN2 O6)

Compound Name

ethyl 2-(2,6-dichloro-4-{[(5E)-1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate

IUPAC name

ethyl 2-(26-dichloro-4-{[(5E)-1-(4-fluorophenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}phenoxy)acetate

SMILES

CCOC(COc(c(Cl)cc(/C=C(\C(NC(N1c(cc2)ccc2F)=O)=O)/C1=O)c1)c1Cl)=O

InChI

InChI=1S/C21H15Cl2FN2O6/c1-2-31-17(27)10-32-18-15(22)8-11(9-16(18)23)7-14-19(28)25-21(30)26(20(14)29)13-5-3-12(24)4-6-13/h3-9H,2,10H2,1H3,(H,25,28,30)

InChI Key

VHFMZSNUXXPYBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02634206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.26

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.834

Distribution Coefficient, logD

3.530

Water Solubility, LogSw

-4.35

Polar Surface Area

81.222

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 3669-1351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3669-1351?
Check Price and Availability of 3669-1351, 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 3669-1351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3669-1351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3669-1351
  • 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 3669-1351 available by request