M668-0894 Screening compound: N~1~-{3-[(anilinocarbonyl)amino]phenyl}-N~3~-ethyltetrahydro-1,3(2H)-pyridinedicarboxamide

M668-0894 Screening compound: N~1~-{3-[(anilinocarbonyl)amino]phenyl}-N~3~-ethyltetrahydro-1,3(2H)-pyridinedicarboxamide
M668-0894 Screening compound: N~1~-{3-[(anilinocarbonyl)amino]phenyl}-N~3~-ethyltetrahydro-1,3(2H)-pyridinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M668-0894
N~1~-{3-[(anilinocarbonyl)amino]phenyl}-N~3~-ethyltetrahydro-1,3(2H)-pyridinedicarboxamide

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

M668-0894

Molecular Formula

C22H27N5O3 (C22 H27 N5 O3)

Compound Name

N~1~-{3-[(anilinocarbonyl)amino]phenyl}-N~3~-ethyltetrahydro-1,3(2H)-pyridinedicarboxamide

IUPAC name

N3-ethyl-N1-{3-[(phenylcarbamoyl)amino]phenyl}piperidine-13-dicarboxamide

SMILES

CCNC(C(CCC1)CN1C(Nc1cc(NC(Nc2ccccc2)=O)ccc1)=O)=O

InChI

InChI=1S/C22H27N5O3/c1-2-23-20(28)16-8-7-13-27(15-16)22(30)26-19-12-6-11-18(14-19)25-21(29)24-17-9-4-3-5-10-17/h3-6,9-12,14,16H,2,7-8,13,15H2,1H3,(H,23,28)(H,26,30)(H2,24,25,29)/t16-/m0/s1

InChI Key

GTFPOBRMOPWEJZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27550323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.887

Distribution Coefficient, logD

2.887

Water Solubility, LogSw

-3.30

Polar Surface Area

82.255

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

M668-0894 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with M668-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M668-0894?
Check Price and Availability of M668-0894, 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 M668-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M668-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M668-0894
  • 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 M668-0894 available by request