C906-0673 Screening compound: ETHYL 3-{[(4-{[(2-MORPHOLINO-3,4-DIOXO-1-CYCLOBUTENYL)AMINO]METHYL}CYCLOHEXYL)CARBONYL]AMINO}BENZOATE

C906-0673 Screening compound: ETHYL 3-{[(4-{[(2-MORPHOLINO-3,4-DIOXO-1-CYCLOBUTENYL)AMINO]METHYL}CYCLOHEXYL)CARBONYL]AMINO}BENZOATE
C906-0673 Screening compound: ETHYL 3-{[(4-{[(2-MORPHOLINO-3,4-DIOXO-1-CYCLOBUTENYL)AMINO]METHYL}CYCLOHEXYL)CARBONYL]AMINO}BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound C906-0673
ETHYL 3-{[(4-{[(2-MORPHOLINO-3,4-DIOXO-1-CYCLOBUTENYL)AMINO]METHYL}CYCLOHEXYL)CARBONYL]AMINO}BENZOATE

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

C906-0673

Molecular Formula

C25H31N3O6 (C25 H31 N3 O6)

Compound Name

ETHYL 3-{[(4-{[(2-MORPHOLINO-3,4-DIOXO-1-CYCLOBUTENYL)AMINO]METHYL}CYCLOHEXYL)CARBONYL]AMINO}BENZOATE

IUPAC name

ethyl 3-[4-({[2-(morpholin-4-yl)-34-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexaneamido]benzoate

SMILES

CCOC(c1cccc(NC(C2CCC(CNC(C(C3=O)=O)=C3N3CCOCC3)CC2)=O)c1)=O

InChI

InChI=1S/C25H31N3O6/c1-2-34-25(32)18-4-3-5-19(14-18)27-24(31)17-8-6-16(7-9-17)15-26-20-21(23(30)22(20)29)28-10-12-33-13-11-28/h3-5,14,16-17,26H,2,6-13,15H2,1H3,(H,27,31)

InChI Key

WZQISCKXYPZLCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

3.187

Water Solubility, LogSw

-3.27

Polar Surface Area

92.804

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

C906-0673 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C906-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C906-0673?
Check Price and Availability of C906-0673, 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 C906-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C906-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C906-0673
  • 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 C906-0673 available by request