C798-1210 Screening compound: 3-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-1-phenylurea

C798-1210 Screening compound: 3-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-1-phenylurea
C798-1210 Screening compound: 3-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1210
3-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-1-phenylurea

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

C798-1210

Molecular Formula

C22H21N5O (C22 H21 N5 O)

Compound Name

3-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-1-phenylurea

IUPAC name

3-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-1-phenylurea

SMILES

Cc(c(CNC(Nc1ccccc1)=O)c1-n2cccc2)nn1-c1ccccc1

InChI

InChI=1S/C22H21N5O/c1-17-20(16-23-22(28)24-18-10-4-2-5-11-18)21(26-14-8-9-15-26)27(25-17)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H2,23,24,28)

InChI Key

KDLZGIVWIDJABK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.123

Distribution Coefficient, logD

4.123

Water Solubility, LogSw

-4.21

Polar Surface Area

51.073

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C798-1210 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C798-1210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1210?
Check Price and Availability of C798-1210, 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 C798-1210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1210
  • 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 C798-1210 available by request