G532-0036 Screening compound: 1-(4-bromophenyl)-3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea

G532-0036 Screening compound: 1-(4-bromophenyl)-3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
G532-0036 Screening compound: 1-(4-bromophenyl)-3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G532-0036
1-(4-bromophenyl)-3-[(1,3,5-trimethyl-1H-pyrazol-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

G532-0036

Molecular Formula

C14H17BrN4O (C14 H17 BrN4 O)

Compound Name

1-(4-bromophenyl)-3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea

IUPAC name

1-(4-bromophenyl)-3-[(135-trimethyl-1H-pyrazol-4-yl)methyl]urea

SMILES

Cc1c(CNC(Nc(cc2)ccc2Br)=O)c(C)nn1C

InChI

InChI=1S/C14H17BrN4O/c1-9-13(10(2)19(3)18-9)8-16-14(20)17-12-6-4-11(15)5-7-12/h4-7H,8H2,1-3H3,(H2,16,17,20)

InChI Key

MCHISRTYSSBHDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06105361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.468

Distribution Coefficient, logD

2.468

Water Solubility, LogSw

-2.93

Polar Surface Area

48.703

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G532-0036 in Drug Discovery

Included in Screening Libraries

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

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G532-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G532-0036?
Check Price and Availability of G532-0036, 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 G532-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G532-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G532-0036
  • 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 G532-0036 available by request