2897-1189 Screening compound: (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

2897-1189 Screening compound: (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
2897-1189 Screening compound: (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1189
(5E)-5-[(4-ethoxy-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

2897-1189

Molecular Formula

C21H20N2O5S (C21 H20 N2 O5 S)

Compound Name

(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCOc(ccc(/C=C(\C(NC(N1c(cc2)ccc2OC)=S)=O)/C1=O)c1)c1OC

InChI

InChI=1S/C21H20N2O5S/c1-4-28-17-10-5-13(12-18(17)27-3)11-16-19(24)22-21(29)23(20(16)25)14-6-8-15(26-2)9-7-14/h5-12H,4H2,1-3H3,(H,22,24,29)

InChI Key

GCGKMNXRDHXCTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

2.369

Water Solubility, LogSw

-3.41

Polar Surface Area

62.613

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 2897-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-1189?
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What is the minimum amount of 2897-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1189
  • 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 2897-1189 available by request