P111-0380 Screening compound: N-(2,4-dimethylphenyl)-3-[(2-methylpropanamido)methyl]piperidine-1-carboxamide

P111-0380 Screening compound: N-(2,4-dimethylphenyl)-3-[(2-methylpropanamido)methyl]piperidine-1-carboxamide
P111-0380 Screening compound: N-(2,4-dimethylphenyl)-3-[(2-methylpropanamido)methyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P111-0380
N-(2,4-dimethylphenyl)-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

P111-0380

Molecular Formula

C19H29N3O2 (C19 H29 N3 O2)

Compound Name

N-(2,4-dimethylphenyl)-3-[(2-methylpropanamido)methyl]piperidine-1-carboxamide

IUPAC name

N-(24-dimethylphenyl)-3-[(2-methylpropanamido)methyl]piperidine-1-carboxamide

SMILES

CC(C)C(NCC(CCC1)CN1C(Nc1c(C)cc(C)cc1)=O)=O

InChI

InChI=1S/C19H29N3O2/c1-13(2)18(23)20-11-16-6-5-9-22(12-16)19(24)21-17-8-7-14(3)10-15(17)4/h7-8,10,13,16H,5-6,9,11-12H2,1-4H3,(H,20,23)(H,21,24)/t16-/m1/s1

InChI Key

LEMZDRXKTWNLMN-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27565045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.46

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

3.403

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-3.49

Polar Surface Area

49.628

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

P111-0380 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P111-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P111-0380?
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What is the minimum amount of P111-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P111-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P111-0380
  • 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 P111-0380 available by request