P859-0671 Screening compound: ethyl 4-({[1-(1-acetyl-4-piperidyl)-2,5-dimethyl-1H-imidazol-4-yl]carbonyl}amino)benzoate

P859-0671 Screening compound: ethyl 4-({[1-(1-acetyl-4-piperidyl)-2,5-dimethyl-1H-imidazol-4-yl]carbonyl}amino)benzoate
P859-0671 Screening compound: ethyl 4-({[1-(1-acetyl-4-piperidyl)-2,5-dimethyl-1H-imidazol-4-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P859-0671
ethyl 4-({[1-(1-acetyl-4-piperidyl)-2,5-dimethyl-1H-imidazol-4-yl]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

P859-0671

Molecular Formula

C22H28N4O4 (C22 H28 N4 O4)

Compound Name

ethyl 4-({[1-(1-acetyl-4-piperidyl)-2,5-dimethyl-1H-imidazol-4-yl]carbonyl}amino)benzoate

IUPAC name

ethyl 4-[1-(1-acetylpiperidin-4-yl)-25-dimethyl-1H-imidazole-4-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1c(C)n(C(CC2)CCN2C(C)=O)c(C)n1)=O)=O

InChI

InChI=1S/C22H28N4O4/c1-5-30-22(29)17-6-8-18(9-7-17)24-21(28)20-14(2)26(15(3)23-20)19-10-12-25(13-11-19)16(4)27/h6-9,19H,5,10-13H2,1-4H3,(H,24,28)

InChI Key

WDVBYZOOVRLPCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.800

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-3.17

Polar Surface Area

73.842

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.45

P859-0671 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P859-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P859-0671?
Check Price and Availability of P859-0671, 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 P859-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P859-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P859-0671
  • 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 P859-0671 available by request