L249-1291 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide

L249-1291 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
L249-1291 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L249-1291
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide

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

L249-1291

Molecular Formula

C26H33N3O3 (C26 H33 N3 O3)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[1-(2-cyclopropyl-13-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide

SMILES

O=C(CC(CC1)CCN1C(c(cc1)cc2c1oc(C1CC1)n2)=O)NCCC1=CCCCC1

InChI

InChI=1S/C26H33N3O3/c30-24(27-13-10-18-4-2-1-3-5-18)16-19-11-14-29(15-12-19)26(31)21-8-9-23-22(17-21)28-25(32-23)20-6-7-20/h4,8-9,17,19-20H,1-3,5-7,10-16H2,(H,27,30)

InChI Key

FNLNQLULESRKHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27237894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.799

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-4.12

Polar Surface Area

58.454

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.70

L249-1291 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L249-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L249-1291?
Check Price and Availability of L249-1291, 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 L249-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L249-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L249-1291
  • 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 L249-1291 available by request