2897-1219 Screening compound: (5E)-5-({4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

2897-1219 Screening compound: (5E)-5-({4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
2897-1219 Screening compound: (5E)-5-({4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1219
(5E)-5-({4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-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

2897-1219

Molecular Formula

C26H21ClN2O5S (C26 H21 ClN2 O5 S)

Compound Name

(5E)-5-({4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-({4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

COc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)cc(OC)c2OCc(cccc2)c2Cl)=O)C1=S

InChI

InChI=1S/C26H21ClN2O5S/c1-32-19-10-8-18(9-11-19)29-25(31)20(24(30)28-26(29)35)13-16-7-12-22(23(14-16)33-2)34-15-17-5-3-4-6-21(17)27/h3-14H,15H2,1-2H3,(H,28,30,35)

InChI Key

NYVGIMJMFLUQOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.414

Distribution Coefficient, logD

4.039

Water Solubility, LogSw

-4.67

Polar Surface Area

62.717

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with 2897-1219 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1219
  • 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 2897-1219 available by request