G531-0200 Screening compound: 1-(3-bromophenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea

G531-0200 Screening compound: 1-(3-bromophenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea
G531-0200 Screening compound: 1-(3-bromophenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0200
1-(3-bromophenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]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

G531-0200

Molecular Formula

C16H21BrN4O (C16 H21 BrN4 O)

Compound Name

1-(3-bromophenyl)-3-methyl-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea

IUPAC name

1-(3-bromophenyl)-3-methyl-3-[2-(135-trimethyl-1H-pyrazol-4-yl)ethyl]urea

SMILES

Cc1c(CCN(C)C(Nc2cccc(Br)c2)=O)c(C)nn1C

InChI

InChI=1S/C16H21BrN4O/c1-11-15(12(2)21(4)19-11)8-9-20(3)16(22)18-14-7-5-6-13(17)10-14/h5-7,10H,8-9H2,1-4H3,(H,18,22)

InChI Key

KRXNQQHNDSEGFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.711

Distribution Coefficient, logD

2.711

Water Solubility, LogSw

-3.14

Polar Surface Area

40.027

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G531-0200 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with G531-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0200?
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What is the minimum amount of G531-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0200
  • 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 G531-0200 available by request