G532-0094 Screening compound: 1-(3-chloro-4-methylphenyl)-3-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]urea

G532-0094 Screening compound: 1-(3-chloro-4-methylphenyl)-3-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
G532-0094 Screening compound: 1-(3-chloro-4-methylphenyl)-3-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G532-0094
1-(3-chloro-4-methylphenyl)-3-[(1-ethyl-3,5-dimethyl-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

G532-0094

Molecular Formula

C16H21ClN4O (C16 H21 ClN4 O)

Compound Name

1-(3-chloro-4-methylphenyl)-3-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]urea

IUPAC name

1-(3-chloro-4-methylphenyl)-3-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]urea

SMILES

CCn1nc(C)c(CNC(Nc2cc(Cl)c(C)cc2)=O)c1C

InChI

InChI=1S/C16H21ClN4O/c1-5-21-12(4)14(11(3)20-21)9-18-16(22)19-13-7-6-10(2)15(17)8-13/h6-8H,5,9H2,1-4H3,(H2,18,19,22)

InChI Key

CVQQQXPNLQAEAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06115557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.563

Distribution Coefficient, logD

3.563

Water Solubility, LogSw

-3.76

Polar Surface Area

48.142

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with G532-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G532-0094?
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What is the minimum amount of G532-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G532-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G532-0094
  • 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 G532-0094 available by request