4299-0185 Screening compound: (5Z)-1-(4-fluorophenyl)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

4299-0185 Screening compound: (5Z)-1-(4-fluorophenyl)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
4299-0185 Screening compound: (5Z)-1-(4-fluorophenyl)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-0185
(5Z)-1-(4-fluorophenyl)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

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

4299-0185

Molecular Formula

C21H17FN2O4S (C21 H17 FN2 O4 S)

Compound Name

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

IUPAC name

(5Z)-1-(4-fluorophenyl)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

COc(cc(/C=C(/C(NC(N1c(cc2)ccc2F)=S)=O)\C1=O)cc1)c1OCC=C

InChI

InChI=1S/C21H17FN2O4S/c1-3-10-28-17-9-4-13(12-18(17)27-2)11-16-19(25)23-21(29)24(20(16)26)15-7-5-14(22)6-8-15/h3-9,11-12H,1,10H2,2H3,(H,23,25,29)

InChI Key

GQAVPYCPIQLLDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.229

Distribution Coefficient, logD

2.854

Water Solubility, LogSw

-3.57

Polar Surface Area

55.363

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-9.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 4299-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-0185?
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What is the minimum amount of 4299-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-0185
  • 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 4299-0185 available by request