CM3701-2131 Screening compound: 4-acetamido-N-{1-[5-(pyrrolidin-1-yl)pyridazin-3-yl]pyrrolidin-3-yl}benzamide

CM3701-2131 Screening compound: 4-acetamido-N-{1-[5-(pyrrolidin-1-yl)pyridazin-3-yl]pyrrolidin-3-yl}benzamide
CM3701-2131 Screening compound: 4-acetamido-N-{1-[5-(pyrrolidin-1-yl)pyridazin-3-yl]pyrrolidin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3701-2131
4-acetamido-N-{1-[5-(pyrrolidin-1-yl)pyridazin-3-yl]pyrrolidin-3-yl}benzamide

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

CM3701-2131

Molecular Formula

C21H26N6O2 (C21 H26 N6 O2)

Compound Name

4-acetamido-N-{1-[5-(pyrrolidin-1-yl)pyridazin-3-yl]pyrrolidin-3-yl}benzamide

IUPAC name

4-acetamido-N-{1-[5-(pyrrolidin-1-yl)pyridazin-3-yl]pyrrolidin-3-yl}benzamide

SMILES

CC(Nc(cc1)ccc1C(NC(CC1)CN1c1nncc(N2CCCC2)c1)=O)=O

InChI

InChI=1S/C21H26N6O2/c1-15(28)23-17-6-4-16(5-7-17)21(29)24-18-8-11-27(14-18)20-12-19(13-22-25-20)26-9-2-3-10-26/h4-7,12-13,18H,2-3,8-11,14H2,1H3,(H,23,28)(H,24,29)/t18-/m0/s1

InChI Key

UEDWTBKDDLIZGS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30458701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.640

Distribution Coefficient, logD

1.527

Water Solubility, LogSw

-2.20

Polar Surface Area

77.153

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

CM3701-2131 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with CM3701-2131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3701-2131?
Check Price and Availability of CM3701-2131, 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 CM3701-2131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3701-2131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3701-2131
  • 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 CM3701-2131 available by request