C155-0558 Screening compound: 2-{[4-(adamantan-1-yl)phenyl]formamido}-4-methyl-N-[(pyridin-2-yl)methyl]pentanamide

C155-0558 Screening compound: 2-{[4-(adamantan-1-yl)phenyl]formamido}-4-methyl-N-[(pyridin-2-yl)methyl]pentanamide
C155-0558 Screening compound: 2-{[4-(adamantan-1-yl)phenyl]formamido}-4-methyl-N-[(pyridin-2-yl)methyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0558
2-{[4-(adamantan-1-yl)phenyl]formamido}-4-methyl-N-[(pyridin-2-yl)methyl]pentanamide

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

C155-0558

Molecular Formula

C29H37N3O2 (C29 H37 N3 O2)

Compound Name

2-{[4-(adamantan-1-yl)phenyl]formamido}-4-methyl-N-[(pyridin-2-yl)methyl]pentanamide

IUPAC name

2-{[4-(adamantan-1-yl)phenyl]formamido}-4-methyl-N-[(pyridin-2-yl)methyl]pentanamide

SMILES

CC(C)CC(C(NCc1ncccc1)=O)NC(c1ccc(C2(CC(C3)C4)CC4CC3C2)cc1)=O

InChI

InChI=1S/C29H37N3O2/c1-19(2)11-26(28(34)31-18-25-5-3-4-10-30-25)32-27(33)23-6-8-24(9-7-23)29-15-20-12-21(16-29)14-22(13-20)17-29/h3-10,19-22,26H,11-18H2,1-2H3,(H,31,34)(H,32,33)/t20?,21?,22?,26-,29?/m0/s1

InChI Key

CPTSLTWJEZPNFQ-XPHRKCLFSA-N

MDL Number (MFCD)

MFCD14757591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.448

Distribution Coefficient, logD

5.447

Water Solubility, LogSw

-5.55

Polar Surface Area

58.272

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.20

C155-0558 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Eccentric PPI Library (11937 compounds)

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with C155-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0558?
Check Price and Availability of C155-0558, 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 C155-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0558
  • 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 C155-0558 available by request