C186-0187 Screening compound: 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one

C186-0187 Screening compound: 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one
C186-0187 Screening compound: 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0187
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one

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

C186-0187

Molecular Formula

C34H39N3O8 (C34 H39 N3 O8)

Compound Name

5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one

IUPAC name

5-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6-(4-methoxyphenyl)-1-(345-trimethoxyphenyl)piperidin-2-one

SMILES

COc1ccc(C(C(CCC2=O)C(N3CCN(Cc(cc4)cc5c4OCO5)CC3)=O)N2c(cc2OC)cc(OC)c2OC)cc1

InChI

InChI=1S/C34H39N3O8/c1-40-25-8-6-23(7-9-25)32-26(10-12-31(38)37(32)24-18-29(41-2)33(43-4)30(19-24)42-3)34(39)36-15-13-35(14-16-36)20-22-5-11-27-28(17-22)45-21-44-27/h5-9,11,17-19,26,32H,10,12-16,20-21H2,1-4H3

InChI Key

UDCKIEQEYPOPRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

617.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

3.084

Water Solubility, LogSw

-3.95

Polar Surface Area

83.415

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

C186-0187 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C186-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C186-0187?
Check Price and Availability of C186-0187, 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 C186-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0187
  • 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 C186-0187 available by request