3448-7430 Screening compound: (5E)-1-(4-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

3448-7430 Screening compound: (5E)-1-(4-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
3448-7430 Screening compound: (5E)-1-(4-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-7430
(5E)-1-(4-methylphenyl)-5-[(5-nitrothiophen-2-yl)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

3448-7430

Molecular Formula

C16H11N3O5S (C16 H11 N3 O5 S)

Compound Name

(5E)-1-(4-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(4-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-13-diazinane-246-trione

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2ccc([N+]([O-])=O)s2)=O)C1=O

InChI

InChI=1S/C16H11N3O5S/c1-9-2-4-10(5-3-9)18-15(21)12(14(20)17-16(18)22)8-11-6-7-13(25-11)19(23)24/h2-8H,1H3,(H,17,20,22)

InChI Key

KNKZYXQKHRQLIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.632

Distribution Coefficient, logD

2.230

Water Solubility, LogSw

-3.20

Polar Surface Area

88.142

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3448-7430 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3448-7430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-7430?
Check Price and Availability of 3448-7430, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3448-7430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-7430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-7430
  • 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 3448-7430 available by request