L407-0107 Screening compound: N-[(4-methylphenyl)methyl]-4-{[5-(piperidine-1-carbonyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carboxamide

L407-0107 Screening compound: N-[(4-methylphenyl)methyl]-4-{[5-(piperidine-1-carbonyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carboxamide
L407-0107 Screening compound: N-[(4-methylphenyl)methyl]-4-{[5-(piperidine-1-carbonyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L407-0107
N-[(4-methylphenyl)methyl]-4-{[5-(piperidine-1-carbonyl)-1,3-benzoxazol-2-yl]methyl}piperazine-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

L407-0107

Molecular Formula

C27H33N5O3 (C27 H33 N5 O3)

Compound Name

N-[(4-methylphenyl)methyl]-4-{[5-(piperidine-1-carbonyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-4-{[5-(piperidine-1-carbonyl)-13-benzoxazol-2-yl]methyl}piperazine-1-carboxamide

SMILES

Cc1ccc(CNC(N2CCN(Cc3nc(cc(cc4)C(N5CCCCC5)=O)c4o3)CC2)=O)cc1

InChI

InChI=1S/C27H33N5O3/c1-20-5-7-21(8-6-20)18-28-27(34)32-15-13-30(14-16-32)19-25-29-23-17-22(9-10-24(23)35-25)26(33)31-11-3-2-4-12-31/h5-10,17H,2-4,11-16,18-19H2,1H3,(H,28,34)

InChI Key

YOGWWRCBNPRGJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15126118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.722

Water Solubility, LogSw

-3.15

Polar Surface Area

63.966

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

L407-0107 in Drug Discovery

Included in Screening Libraries

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

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L407-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L407-0107?
Check Price and Availability of L407-0107, 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 L407-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L407-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L407-0107
  • 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 L407-0107 available by request