6133-0004 Screening compound: 3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}-1-[(pyridin-4-yl)methyl]urea

6133-0004 Screening compound: 3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}-1-[(pyridin-4-yl)methyl]urea
6133-0004 Screening compound: 3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}-1-[(pyridin-4-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 6133-0004
3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}-1-[(pyridin-4-yl)methyl]urea

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

6133-0004

Molecular Formula

C19H23N3O (C19 H23 N3 O)

Compound Name

3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}-1-[(pyridin-4-yl)methyl]urea

IUPAC name

3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}-1-[(pyridin-4-yl)methyl]urea

SMILES

CC(C)(c1cc(C(C)=C)ccc1)NC(NCc1ccncc1)=O

InChI

InChI=1S/C19H23N3O/c1-14(2)16-6-5-7-17(12-16)19(3,4)22-18(23)21-13-15-8-10-20-11-9-15/h5-12H,1,13H2,2-4H3,(H2,21,22,23)

InChI Key

YQBUWPXILDTRHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02697314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.835

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-3.02

Polar Surface Area

43.627

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

6133-0004 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6133-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6133-0004?
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What is the minimum amount of 6133-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6133-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6133-0004
  • 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 6133-0004 available by request