1887-0102 Screening compound: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione

1887-0102 Screening compound: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione
1887-0102 Screening compound: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1887-0102
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(3-methoxyphenyl)-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

1887-0102

Molecular Formula

C20H18N2O6 (C20 H18 N2 O6)

Compound Name

(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-[(34-dimethoxyphenyl)methylidene]-1-(3-methoxyphenyl)-13-diazinane-246-trione

SMILES

COc1cccc(N(C(/C(/C(N2)=O)=C/c(cc3)cc(OC)c3OC)=O)C2=O)c1

InChI

InChI=1S/C20H18N2O6/c1-26-14-6-4-5-13(11-14)22-19(24)15(18(23)21-20(22)25)9-12-7-8-16(27-2)17(10-12)28-3/h4-11H,1-3H3,(H,21,23,25)

InChI Key

CFNHXKJEWNBCPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.152

Distribution Coefficient, logD

1.975

Water Solubility, LogSw

-2.98

Polar Surface Area

76.195

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

1887-0102 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1887-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1887-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1887-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1887-0102
  • 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 1887-0102 available by request