4013-0909 Screening compound: 3-[3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

4013-0909 Screening compound: 3-[3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
4013-0909 Screening compound: 3-[3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4013-0909
3-[3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

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

4013-0909

Molecular Formula

C14H17BrN2O4 (C14 H17 BrN2 O4)

Compound Name

3-[3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

IUPAC name

3-[3-(2-bromophenoxy)-2-hydroxypropyl]-55-dimethylimidazolidine-24-dione

SMILES

CC(C)(C(N1CC(COc(cccc2)c2Br)O)=O)NC1=O

InChI

InChI=1S/C14H17BrN2O4/c1-14(2)12(19)17(13(20)16-14)7-9(18)8-21-11-6-4-3-5-10(11)15/h3-6,9,18H,7-8H2,1-2H3,(H,16,20)/t9-/m0/s1

InChI Key

MTROSLTYOPPOEW-VIFPVBQESA-N

MDL Number (MFCD)

MFCD03016102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.044

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-2.61

Polar Surface Area

65.324

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

4013-0909 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4013-0909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4013-0909?
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What is the minimum amount of 4013-0909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4013-0909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4013-0909
  • 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 4013-0909 available by request