3202-0312 Screening compound: (5Z)-5-({3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

3202-0312 Screening compound: (5Z)-5-({3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
3202-0312 Screening compound: (5Z)-5-({3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0312
(5Z)-5-({3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-1-(4-methoxyphenyl)-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

3202-0312

Molecular Formula

C30H29BrN2O7 (C30 H29 BrN2 O7)

Compound Name

(5Z)-5-({3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-({3-bromo-4-[2-(34-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-1-(4-methoxyphenyl)-13-diazinane-246-trione

SMILES

CCOc1cc(/C=C(/C(NC(N2c(cc3)ccc3OC)=O)=O)\C2=O)cc(Br)c1OCCOc1cc(C)c(C)cc1

InChI

InChI=1S/C30H29BrN2O7/c1-5-38-26-17-20(16-25(31)27(26)40-13-12-39-23-9-6-18(2)19(3)14-23)15-24-28(34)32-30(36)33(29(24)35)21-7-10-22(37-4)11-8-21/h6-11,14-17H,5,12-13H2,1-4H3,(H,32,34,36)

InChI Key

XUTZFCGUOMIBHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02017675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

609.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.608

Distribution Coefficient, logD

5.305

Water Solubility, LogSw

-5.38

Polar Surface Area

82.882

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

3202-0312 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 3202-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0312?
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What is the minimum amount of 3202-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0312
  • 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 3202-0312 available by request