G532-0040 Screening compound: 1-(2,4-dimethylphenyl)-3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea

G532-0040 Screening compound: 1-(2,4-dimethylphenyl)-3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
G532-0040 Screening compound: 1-(2,4-dimethylphenyl)-3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G532-0040
1-(2,4-dimethylphenyl)-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

G532-0040

Molecular Formula

C16H22N4O (C16 H22 N4 O)

Compound Name

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

IUPAC name

1-(24-dimethylphenyl)-3-[(135-trimethyl-1H-pyrazol-4-yl)methyl]urea

SMILES

Cc1c(CNC(Nc2c(C)cc(C)cc2)=O)c(C)nn1C

InChI

InChI=1S/C16H22N4O/c1-10-6-7-15(11(2)8-10)18-16(21)17-9-14-12(3)19-20(5)13(14)4/h6-8H,9H2,1-5H3,(H2,17,18,21)

InChI Key

WLIICVGBJNEPOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04293225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.38

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

2.118

Distribution Coefficient, logD

2.118

Water Solubility, LogSw

-2.84

Polar Surface Area

48.005

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G532-0040 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G532-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G532-0040?
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What is the minimum amount of G532-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G532-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G532-0040
  • 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 G532-0040 available by request