3202-0314 Screening compound: (5Z)-5-({3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

3202-0314 Screening compound: (5Z)-5-({3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
3202-0314 Screening compound: (5Z)-5-({3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0314
(5Z)-5-({3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxyphenyl}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

3202-0314

Molecular Formula

C31H31BrN2O7 (C31 H31 BrN2 O7)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1OCCOc(c(OC)cc(/C=C(/C(NC(N1c(cc2)ccc2OC)=O)=O)\C1=O)c1)c1Br

InChI

InChI=1S/C31H31BrN2O7/c1-31(2,3)20-6-10-23(11-7-20)40-14-15-41-27-25(32)17-19(18-26(27)39-5)16-24-28(35)33-30(37)34(29(24)36)21-8-12-22(38-4)13-9-21/h6-13,16-18H,14-15H2,1-5H3,(H,33,35,37)

InChI Key

QRNBTLQTKGBWAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02017691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

623.5

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

6.092

Distribution Coefficient, logD

5.789

Water Solubility, LogSw

-5.52

Polar Surface Area

83.302

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

3202-0314 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 3202-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0314?
Check Price and Availability of 3202-0314, 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 3202-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0314
  • 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 3202-0314 available by request