L249-1646 Screening compound: N-[(3-fluorophenyl)methyl]-2-{1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl}propanamide

L249-1646 Screening compound: N-[(3-fluorophenyl)methyl]-2-{1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl}propanamide
L249-1646 Screening compound: N-[(3-fluorophenyl)methyl]-2-{1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L249-1646
N-[(3-fluorophenyl)methyl]-2-{1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl}propanamide

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

L249-1646

Molecular Formula

C30H30FN3O3 (C30 H30 FN3 O3)

Compound Name

N-[(3-fluorophenyl)methyl]-2-{1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl}propanamide

IUPAC name

N-[(3-fluorophenyl)methyl]-2-{1-[2-(4-methylphenyl)-13-benzoxazole-5-carbonyl]piperidin-4-yl}propanamide

SMILES

CC(C(CC1)CCN1C(c(cc1)cc2c1oc(-c1ccc(C)cc1)n2)=O)C(NCc1cccc(F)c1)=O

InChI

InChI=1S/C30H30FN3O3/c1-19-6-8-23(9-7-19)29-33-26-17-24(10-11-27(26)37-29)30(36)34-14-12-22(13-15-34)20(2)28(35)32-18-21-4-3-5-25(31)16-21/h3-11,16-17,20,22H,12-15,18H2,1-2H3,(H,32,35)/t20-/m0/s1

InChI Key

MXXDVUOKDBYODS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27237942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.663

Distribution Coefficient, logD

4.663

Water Solubility, LogSw

-4.43

Polar Surface Area

58.110

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

L249-1646 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L249-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L249-1646?
Check Price and Availability of L249-1646, 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 L249-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L249-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L249-1646
  • 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 L249-1646 available by request