L249-0991 Screening compound: N-cycloheptyl-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide

Chemical Structure Depiction of ChemDiv screening compound L249-0991
N-cycloheptyl-2-[1-(2-phenyl-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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L249-0991

Molecular Formula

C₂₈H₃₃N₃O₃ (C28 H33 N3 O3)

Compound Name

N-cycloheptyl-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide

IUPAC name

N-cycloheptyl-2-[1-(2-phenyl-13-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide

SMILES

O=C(CC(CC1)CCN1C(c(cc1)cc2c1oc(-c1ccccc1)n2)=O)NC1CCCCCC1

InChI

InChI=1S/C28H33N3O3/c32-26(29-23-10-6-1-2-7-11-23)18-20-14-16-31(17-15-20)28(33)22-12-13-25-24(19-22)30-27(34-25)21-8-4-3-5-9-21/h3-5,8-9,12-13,19-20,23H,1-2,6-7,10-11,14-18H2,(H,29,32)

InChI Key

HOFRULDNZKTFPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27237787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.079

Distribution Coefficient, logD

5.079

Water Solubility, LogSw

-5.33

Polar Surface Area

57.953

Acid Dissociation Constant (pK_a)

14.63

Base Dissociation Constant (pK_b)

1.44

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

46.40

L249-0991 in Drug Discovery

Included in Screening Libraries

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

Anti-Inflammatory Library (24602 compounds)

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:

3D
Mimetics

Therapeutical areas:

Immune system
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Endocrine
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Infections
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Cardiovascular
Skin
Metabolic
Immune system
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Targets:

Kinases
GPCR
Proteases
Phosphatases

Mechanism of action:

Receptor's ligands
Receptor's ligands
PPI modulators
PPI modulators

References: we are preparing a list of scientific research reports with L249-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L249-0991?
Check Price and Availability of L249-0991, 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 L249-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for L249-0991
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for L249-0991

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 L249-0991 available by request