M665-0945 Screening compound: N1-{4-[(cyclopentylcarbamoyl)amino]phenyl}-N4-(prop-2-en-1-yl)piperidine-1,4-dicarboxamide

M665-0945 Screening compound: N1-{4-[(cyclopentylcarbamoyl)amino]phenyl}-N4-(prop-2-en-1-yl)piperidine-1,4-dicarboxamide
M665-0945 Screening compound: N1-{4-[(cyclopentylcarbamoyl)amino]phenyl}-N4-(prop-2-en-1-yl)piperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M665-0945
N1-{4-[(cyclopentylcarbamoyl)amino]phenyl}-N4-(prop-2-en-1-yl)piperidine-1,4-dicarboxamide

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

M665-0945

Molecular Formula

C22H31N5O3 (C22 H31 N5 O3)

Compound Name

N1-{4-[(cyclopentylcarbamoyl)amino]phenyl}-N4-(prop-2-en-1-yl)piperidine-1,4-dicarboxamide

IUPAC name

N1-{4-[(cyclopentylcarbamoyl)amino]phenyl}-N4-(prop-2-en-1-yl)piperidine-14-dicarboxamide

SMILES

C=CCNC(C(CC1)CCN1C(Nc(cc1)ccc1NC(NC1CCCC1)=O)=O)=O

InChI

InChI=1S/C22H31N5O3/c1-2-13-23-20(28)16-11-14-27(15-12-16)22(30)26-19-9-7-18(8-10-19)25-21(29)24-17-5-3-4-6-17/h2,7-10,16-17H,1,3-6,11-15H2,(H,23,28)(H,26,30)(H2,24,25,29)

InChI Key

JWODAJOLKATTRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.260

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-2.87

Polar Surface Area

83.950

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M665-0945 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M665-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M665-0945?
Check Price and Availability of M665-0945, 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 M665-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M665-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M665-0945
  • 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 M665-0945 available by request