G532-0045 Screening compound: 1-(3-fluoro-4-methylphenyl)-3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea

G532-0045 Screening compound: 1-(3-fluoro-4-methylphenyl)-3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
G532-0045 Screening compound: 1-(3-fluoro-4-methylphenyl)-3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G532-0045
1-(3-fluoro-4-methylphenyl)-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

G532-0045

Molecular Formula

C15H19FN4O (C15 H19 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNC(Nc2cc(F)c(C)cc2)=O)c(C)nn1C

InChI

InChI=1S/C15H19FN4O/c1-9-5-6-12(7-14(9)16)18-15(21)17-8-13-10(2)19-20(4)11(13)3/h5-7H,8H2,1-4H3,(H2,17,18,21)

InChI Key

QPKWLKSECJZXNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.34

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

2.284

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-2.90

Polar Surface Area

48.703

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G532-0045 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G532-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G532-0045?
Check Price and Availability of G532-0045, 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 G532-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G532-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G532-0045
  • 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 G532-0045 available by request