2134-0400 Screening compound: 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

2134-0400 Screening compound: 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
2134-0400 Screening compound: 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2134-0400
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,3-dimethyl-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

2134-0400

Molecular Formula

C14H13BrN2O5 (C14 H13 BrN2 O5)

Compound Name

5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

IUPAC name

5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-13-dimethyl-13-diazinane-246-trione

SMILES

CN(C(C(C(N1C)=O)=Cc(cc2OC)cc(Br)c2O)=O)C1=O

InChI

InChI=1S/C14H13BrN2O5/c1-16-12(19)8(13(20)17(2)14(16)21)4-7-5-9(15)11(18)10(6-7)22-3/h4-6,18H,1-3H3

InChI Key

DKLMMLWDNGMVQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00811983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.17

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.701

Distribution Coefficient, logD

1.623

Water Solubility, LogSw

-1.65

Polar Surface Area

68.235

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

2134-0400 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2134-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2134-0400?
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What is the minimum amount of 2134-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2134-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2134-0400
  • 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 2134-0400 available by request