3679-1169 Screening compound: (5E)-1-(4-ethylphenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

3679-1169 Screening compound: (5E)-1-(4-ethylphenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
3679-1169 Screening compound: (5E)-1-(4-ethylphenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3679-1169
(5E)-1-(4-ethylphenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]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

3679-1169

Molecular Formula

C23H17FN2O3S (C23 H17 FN2 O3 S)

Compound Name

(5E)-1-(4-ethylphenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-1-(4-ethylphenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2ccc(-c(cc3)ccc3F)o2)=O)C1=S

InChI

InChI=1S/C23H17FN2O3S/c1-2-14-3-9-17(10-4-14)26-22(28)19(21(27)25-23(26)30)13-18-11-12-20(29-18)15-5-7-16(24)8-6-15/h3-13H,2H2,1H3,(H,25,27,30)

InChI Key

RGOGVUQYKZACJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

4.580

Water Solubility, LogSw

-4.58

Polar Surface Area

47.798

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-8.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 3679-1169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3679-1169?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3679-1169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3679-1169
  • 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 3679-1169 available by request