CM3701-2839 Screening compound: 1-(3-fluoro-4-methylphenyl)-3-{1-[5-(morpholin-4-yl)pyridazin-3-yl]pyrrolidin-3-yl}urea

CM3701-2839 Screening compound: 1-(3-fluoro-4-methylphenyl)-3-{1-[5-(morpholin-4-yl)pyridazin-3-yl]pyrrolidin-3-yl}urea
CM3701-2839 Screening compound: 1-(3-fluoro-4-methylphenyl)-3-{1-[5-(morpholin-4-yl)pyridazin-3-yl]pyrrolidin-3-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3701-2839
1-(3-fluoro-4-methylphenyl)-3-{1-[5-(morpholin-4-yl)pyridazin-3-yl]pyrrolidin-3-yl}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

CM3701-2839

Molecular Formula

C20H25FN6O2 (C20 H25 FN6 O2)

Compound Name

1-(3-fluoro-4-methylphenyl)-3-{1-[5-(morpholin-4-yl)pyridazin-3-yl]pyrrolidin-3-yl}urea

IUPAC name

1-(3-fluoro-4-methylphenyl)-3-{1-[5-(morpholin-4-yl)pyridazin-3-yl]pyrrolidin-3-yl}urea

SMILES

Cc(ccc(NC(NC(CC1)CN1c1nncc(N2CCOCC2)c1)=O)c1)c1F

InChI

InChI=1S/C20H25FN6O2/c1-14-2-3-15(10-18(14)21)23-20(28)24-16-4-5-27(13-16)19-11-17(12-22-25-19)26-6-8-29-9-7-26/h2-3,10-12,16H,4-9,13H2,1H3,(H2,23,24,28)/t16-/m0/s1

InChI Key

GOIZGUMFSHUGKH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30458710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.315

Distribution Coefficient, logD

2.297

Water Solubility, LogSw

-2.77

Polar Surface Area

70.646

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

CM3701-2839 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with CM3701-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3701-2839?
Check Price and Availability of CM3701-2839, 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 CM3701-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3701-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3701-2839
  • 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 CM3701-2839 available by request