M116-0639 Screening compound: 1-({4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-4-(propan-2-yl)piperazine-2,3-dione

M116-0639 Screening compound: 1-({4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-4-(propan-2-yl)piperazine-2,3-dione
M116-0639 Screening compound: 1-({4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-4-(propan-2-yl)piperazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M116-0639
1-({4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-4-(propan-2-yl)piperazine-2,3-dione

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

M116-0639

Molecular Formula

C26H32N4O3 (C26 H32 N4 O3)

Compound Name

1-({4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-4-(propan-2-yl)piperazine-2,3-dione

IUPAC name

1-({4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-4-(propan-2-yl)piperazine-23-dione

SMILES

CC(C)N(CCN(Cc(cc1)ccc1C(N(CC1)CCN1c1ccc(C)cc1)=O)C1=O)C1=O

InChI

InChI=1S/C26H32N4O3/c1-19(2)30-17-16-29(25(32)26(30)33)18-21-6-8-22(9-7-21)24(31)28-14-12-27(13-15-28)23-10-4-20(3)5-11-23/h4-11,19H,12-18H2,1-3H3

InChI Key

VSZJCAIHDWZMKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.648

Distribution Coefficient, logD

2.648

Water Solubility, LogSw

-2.79

Polar Surface Area

53.350

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

M116-0639 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M116-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M116-0639?
Check Price and Availability of M116-0639, 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 M116-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M116-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M116-0639
  • 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 M116-0639 available by request