M116-0546 Screening compound: N~1~-(3,5-difluorophenyl)-4-[(4-isopropyl-2,3-dioxopiperazino)methyl]benzamide

M116-0546 Screening compound: N~1~-(3,5-difluorophenyl)-4-[(4-isopropyl-2,3-dioxopiperazino)methyl]benzamide
M116-0546 Screening compound: N~1~-(3,5-difluorophenyl)-4-[(4-isopropyl-2,3-dioxopiperazino)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M116-0546
N~1~-(3,5-difluorophenyl)-4-[(4-isopropyl-2,3-dioxopiperazino)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

M116-0546

Molecular Formula

C21H21F2N3O3 (C21 H21 F2 N3 O3)

Compound Name

N~1~-(3,5-difluorophenyl)-4-[(4-isopropyl-2,3-dioxopiperazino)methyl]benzamide

IUPAC name

N-(35-difluorophenyl)-4-{[23-dioxo-4-(propan-2-yl)piperazin-1-yl]methyl}benzamide

SMILES

CC(C)N(CCN(Cc(cc1)ccc1C(Nc1cc(F)cc(F)c1)=O)C1=O)C1=O

InChI

InChI=1S/C21H21F2N3O3/c1-13(2)26-8-7-25(20(28)21(26)29)12-14-3-5-15(6-4-14)19(27)24-18-10-16(22)9-17(23)11-18/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,24,27)

InChI Key

QXSBUVZJWGRKOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.850

Distribution Coefficient, logD

2.524

Water Solubility, LogSw

-3.31

Polar Surface Area

56.532

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

M116-0546 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 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 M116-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M116-0546?
Check Price and Availability of M116-0546, 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 M116-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M116-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M116-0546
  • 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 M116-0546 available by request