2368-0279 Screening compound: (5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

2368-0279 Screening compound: (5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
2368-0279 Screening compound: (5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0279
(5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(4-chlorophenyl)-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

2368-0279

Molecular Formula

C19H14BrClN2O5 (C19 H14 BrClN2 O5)

Compound Name

(5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(4-chlorophenyl)-13-diazinane-246-trione

SMILES

CCOc1cc(/C=C(\C(NC(N2c(cc3)ccc3Cl)=O)=O)/C2=O)cc(Br)c1O

InChI

InChI=1S/C19H14BrClN2O5/c1-2-28-15-9-10(8-14(20)16(15)24)7-13-17(25)22-19(27)23(18(13)26)12-5-3-11(21)4-6-12/h3-9,24H,2H2,1H3,(H,22,25,27)

InChI Key

CAHOJNAGXQWRRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.347

Water Solubility, LogSw

-4.01

Polar Surface Area

76.080

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

2368-0279 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2368-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0279?
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What is the minimum amount of 2368-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0279
  • 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 2368-0279 available by request