3685-0795 Screening compound: (5E)-1-(3-bromophenyl)-5-[(thiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

3685-0795 Screening compound: (5E)-1-(3-bromophenyl)-5-[(thiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
3685-0795 Screening compound: (5E)-1-(3-bromophenyl)-5-[(thiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3685-0795
(5E)-1-(3-bromophenyl)-5-[(thiophen-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

3685-0795

Molecular Formula

C15H9BrN2O3S (C15 H9 BrN2 O3 S)

Compound Name

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

IUPAC name

(5E)-1-(3-bromophenyl)-5-[(thiophen-2-yl)methylidene]-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1c2cccc(Br)c2)=O)=C\c2cccs2)NC1=O

InChI

InChI=1S/C15H9BrN2O3S/c16-9-3-1-4-10(7-9)18-14(20)12(13(19)17-15(18)21)8-11-5-2-6-22-11/h1-8H,(H,17,19,21)

InChI Key

XBJUMNLGAFVXBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02213063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.728

Distribution Coefficient, logD

1.573

Water Solubility, LogSw

-3.32

Polar Surface Area

54.409

Acid Dissociation Constant (pKa)

6.28

Base Dissociation Constant (pKb)

-7.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3685-0795 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3685-0795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3685-0795?
Check Price and Availability of 3685-0795, 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 3685-0795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3685-0795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3685-0795
  • 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 3685-0795 available by request