0986-0149 Screening compound: (5Z)-1-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione

0986-0149 Screening compound: (5Z)-1-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
0986-0149 Screening compound: (5Z)-1-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0986-0149
(5Z)-1-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-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

0986-0149

Molecular Formula

C19H15N3O6 (C19 H15 N3 O6)

Compound Name

(5Z)-1-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-1-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-13-diazinane-246-trione

SMILES

COc(ccc(/C=C(/C(NC(N1Cc2ccccc2)=O)=O)\C1=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C19H15N3O6/c1-28-16-8-7-13(10-15(16)22(26)27)9-14-17(23)20-19(25)21(18(14)24)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,23,25)

InChI Key

DACLZVNBOMWKQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.395

Distribution Coefficient, logD

2.369

Water Solubility, LogSw

-3.03

Polar Surface Area

94.713

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

0986-0149 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 0986-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0986-0149?
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What is the minimum amount of 0986-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0986-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0986-0149
  • 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 0986-0149 available by request