3202-0307 Screening compound: (5Z)-5-({3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

3202-0307 Screening compound: (5Z)-5-({3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
3202-0307 Screening compound: (5Z)-5-({3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0307
(5Z)-5-({3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-1-(4-methylphenyl)-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

3202-0307

Molecular Formula

C29H27BrN2O6 (C29 H27 BrN2 O6)

Compound Name

(5Z)-5-({3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-({3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-1-(4-methylphenyl)-13-diazinane-246-trione

SMILES

CCOc1cc(/C=C(/C(NC(N2c3ccc(C)cc3)=O)=O)\C2=O)cc(Br)c1OCCOc1c(C)cccc1

InChI

InChI=1S/C29H27BrN2O6/c1-4-36-25-17-20(16-23(30)26(25)38-14-13-37-24-8-6-5-7-19(24)3)15-22-27(33)31-29(35)32(28(22)34)21-11-9-18(2)10-12-21/h5-12,15-17H,4,13-14H2,1-3H3,(H,31,33,35)

InChI Key

CWQAPFPCTMPPOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02017670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.424

Distribution Coefficient, logD

5.121

Water Solubility, LogSw

-5.30

Polar Surface Area

75.425

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

3202-0307 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3202-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0307?
Check Price and Availability of 3202-0307, 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 3202-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0307
  • 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 3202-0307 available by request