C906-0215 Screening compound: N-[(4-chlorophenyl)methyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide

C906-0215 Screening compound: N-[(4-chlorophenyl)methyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide
C906-0215 Screening compound: N-[(4-chlorophenyl)methyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C906-0215
N-[(4-chlorophenyl)methyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)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

C906-0215

Molecular Formula

C23H22ClN3O3 (C23 H22 ClN3 O3)

Compound Name

N-[(4-chlorophenyl)methyl]-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide

IUPAC name

N-[(4-chlorophenyl)methyl]-4-({[34-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)benzamide

SMILES

O=C(c1ccc(CNC(C(C2=O)=O)=C2N2CCCC2)cc1)NCc(cc1)ccc1Cl

InChI

InChI=1S/C23H22ClN3O3/c24-18-9-5-16(6-10-18)14-26-23(30)17-7-3-15(4-8-17)13-25-19-20(22(29)21(19)28)27-11-1-2-12-27/h3-10,25H,1-2,11-14H2,(H,26,30)

InChI Key

OUWHCRGMJUYAGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.062

Water Solubility, LogSw

-3.81

Polar Surface Area

65.638

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C906-0215 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C906-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C906-0215?
Check Price and Availability of C906-0215, 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 C906-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C906-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C906-0215
  • 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 C906-0215 available by request