3684-2495 Screening compound: (5E)-1-(4-bromophenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

3684-2495 Screening compound: (5E)-1-(4-bromophenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
3684-2495 Screening compound: (5E)-1-(4-bromophenyl)-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3684-2495
(5E)-1-(4-bromophenyl)-5-[(2-methylphenyl)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

3684-2495

Molecular Formula

C18H13BrN2O3 (C18 H13 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(/C=C(\C(NC(N2c(cc3)ccc3Br)=O)=O)/C2=O)cccc1

InChI

InChI=1S/C18H13BrN2O3/c1-11-4-2-3-5-12(11)10-15-16(22)20-18(24)21(17(15)23)14-8-6-13(19)7-9-14/h2-10H,1H3,(H,20,22,24)

InChI Key

WEYVNTBNJNCOOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02213318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.22

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

3.506

Distribution Coefficient, logD

3.429

Water Solubility, LogSw

-3.61

Polar Surface Area

53.391

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 3684-2495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3684-2495?
Check Price and Availability of 3684-2495, 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 3684-2495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3684-2495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3684-2495
  • 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 3684-2495 available by request