M667-0931 Screening compound: N1-{4-[(phenylcarbamoyl)amino]phenyl}-N3-(prop-2-en-1-yl)piperidine-1,3-dicarboxamide

M667-0931 Screening compound: N1-{4-[(phenylcarbamoyl)amino]phenyl}-N3-(prop-2-en-1-yl)piperidine-1,3-dicarboxamide
M667-0931 Screening compound: N1-{4-[(phenylcarbamoyl)amino]phenyl}-N3-(prop-2-en-1-yl)piperidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M667-0931
N1-{4-[(phenylcarbamoyl)amino]phenyl}-N3-(prop-2-en-1-yl)piperidine-1,3-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

M667-0931

Molecular Formula

C23H27N5O3 (C23 H27 N5 O3)

Compound Name

N1-{4-[(phenylcarbamoyl)amino]phenyl}-N3-(prop-2-en-1-yl)piperidine-1,3-dicarboxamide

IUPAC name

N1-{4-[(phenylcarbamoyl)amino]phenyl}-N3-(prop-2-en-1-yl)piperidine-13-dicarboxamide

SMILES

C=CCNC(C(CCC1)CN1C(Nc(cc1)ccc1NC(Nc1ccccc1)=O)=O)=O

InChI

InChI=1S/C23H27N5O3/c1-2-14-24-21(29)17-7-6-15-28(16-17)23(31)27-20-12-10-19(11-13-20)26-22(30)25-18-8-4-3-5-9-18/h2-5,8-13,17H,1,6-7,14-16H2,(H,24,29)(H,27,31)(H2,25,26,30)/t17-/m0/s1

InChI Key

LCCKLDJYNKMIQY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27550279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

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

3.039

Distribution Coefficient, logD

3.039

Water Solubility, LogSw

-3.31

Polar Surface Area

82.470

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

M667-0931 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with M667-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M667-0931?
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What is the minimum amount of M667-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M667-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M667-0931
  • 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 M667-0931 available by request