8009-3641 Screening compound: (5Z)-5-({4-[(2-fluorophenyl)methoxy]phenyl}methylidene)-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione

8009-3641 Screening compound: (5Z)-5-({4-[(2-fluorophenyl)methoxy]phenyl}methylidene)-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
8009-3641 Screening compound: (5Z)-5-({4-[(2-fluorophenyl)methoxy]phenyl}methylidene)-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3641
(5Z)-5-({4-[(2-fluorophenyl)methoxy]phenyl}methylidene)-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione

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

8009-3641

Molecular Formula

C21H17FN2O4 (C21 H17 FN2 O4)

Compound Name

(5Z)-5-({4-[(2-fluorophenyl)methoxy]phenyl}methylidene)-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-({4-[(2-fluorophenyl)methoxy]phenyl}methylidene)-1-(prop-2-en-1-yl)-13-diazinane-246-trione

SMILES

C=CCN(C(/C(/C(N1)=O)=C\c(cc2)ccc2OCc(cccc2)c2F)=O)C1=O

InChI

InChI=1S/C21H17FN2O4/c1-2-11-24-20(26)17(19(25)23-21(24)27)12-14-7-9-16(10-8-14)28-13-15-5-3-4-6-18(15)22/h2-10,12H,1,11,13H2,(H,23,25,27)

InChI Key

NUUKFQABDGDDIR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.282

Distribution Coefficient, logD

3.230

Water Solubility, LogSw

-3.41

Polar Surface Area

61.480

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 8009-3641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3641?
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What is the minimum amount of 8009-3641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3641
  • 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 8009-3641 available by request