P111-0396 Screening compound: N-(4-BROMO-3-METHYLPHENYL)-3-[(2-METHYLPROPANAMIDO)METHYL]PIPERIDINE-1-CARBOXAMIDE

P111-0396 Screening compound: N-(4-BROMO-3-METHYLPHENYL)-3-[(2-METHYLPROPANAMIDO)METHYL]PIPERIDINE-1-CARBOXAMIDE
P111-0396 Screening compound: N-(4-BROMO-3-METHYLPHENYL)-3-[(2-METHYLPROPANAMIDO)METHYL]PIPERIDINE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P111-0396
N-(4-BROMO-3-METHYLPHENYL)-3-[(2-METHYLPROPANAMIDO)METHYL]PIPERIDINE-1-CARBOXAMIDE

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

P111-0396

Molecular Formula

C18H26BrN3O2 (C18 H26 BrN3 O2)

Compound Name

N-(4-BROMO-3-METHYLPHENYL)-3-[(2-METHYLPROPANAMIDO)METHYL]PIPERIDINE-1-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)C(NCC(CCC1)CN1C(Nc(cc1)cc(C)c1Br)=O)=O

InChI

InChI=1S/C18H26BrN3O2/c1-12(2)17(23)20-10-14-5-4-8-22(11-14)18(24)21-15-6-7-16(19)13(3)9-15/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3,(H,20,23)(H,21,24)/t14-/m1/s1

InChI Key

ZOCOIOTZVUZFQU-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27565048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.699

Water Solubility, LogSw

-3.89

Polar Surface Area

50.326

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with P111-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P111-0396?
Check Price and Availability of P111-0396, 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 P111-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P111-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P111-0396
  • 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 P111-0396 available by request