C804-0687 Screening compound: 4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methylphenyl)methyl]benzamide

C804-0687 Screening compound: 4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methylphenyl)methyl]benzamide
C804-0687 Screening compound: 4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methylphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C804-0687
4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methylphenyl)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

C804-0687

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(c2ccc(CNC(C(C3=O)=O)=C3N3CCCCC3)cc2)=O)cc1

InChI

InChI=1S/C25H27N3O3/c1-17-5-7-18(8-6-17)16-27-25(31)20-11-9-19(10-12-20)15-26-21-22(24(30)23(21)29)28-13-3-2-4-14-28/h5-12,26H,2-4,13-16H2,1H3,(H,27,31)

InChI Key

SMBURPHGHWAAKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

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

3.175

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.35

Polar Surface Area

65.272

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with C804-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C804-0687?
Check Price and Availability of C804-0687, 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 C804-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C804-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C804-0687
  • 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 C804-0687 available by request