C138-0184 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one

C138-0184 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one
C138-0184 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-0184
1-(2H-1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]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

C138-0184

Molecular Formula

C31H33N3O6 (C31 H33 N3 O6)

Compound Name

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

IUPAC name

1-(2H-13-benzodioxol-5-yl)-6-(4-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one

SMILES

COc1ccc(C(C(CCC2=O)C(N(CC3)CCN3c(cccc3)c3OC)=O)N2c(cc2)cc3c2OCO3)cc1

InChI

InChI=1S/C31H33N3O6/c1-37-23-10-7-21(8-11-23)30-24(12-14-29(35)34(30)22-9-13-27-28(19-22)40-20-39-27)31(36)33-17-15-32(16-18-33)25-5-3-4-6-26(25)38-2/h3-11,13,19,24,30H,12,14-18,20H2,1-2H3

InChI Key

NDRCCKVRSWAIQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.171

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.49

Polar Surface Area

67.486

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

C138-0184 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C138-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-0184?
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What is the minimum amount of C138-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-0184
  • 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 C138-0184 available by request