4554-3078 Screening compound: 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoic acid

4554-3078 Screening compound: 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoic acid
4554-3078 Screening compound: 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-3078
2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoic acid

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

4554-3078

Molecular Formula

C17H27NO3 (C17 H27 NO3)

Compound Name

2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoic acid

IUPAC name

2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)NC(CC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C17H27NO3/c1-10(2)15(16(20)21)18-14(19)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h10-13,15H,3-9H2,1-2H3,(H,18,19)(H,20,21)/t11?,12?,13?,15-,17?/m0/s1

InChI Key

PEOFRASVOPVXDK-BGCMAFRMSA-N

MDL Number (MFCD)

MFCD03826939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.082

Distribution Coefficient, logD

-1.505

Water Solubility, LogSw

-2.08

Polar Surface Area

52.503

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

88.20

4554-3078 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4554-3078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-3078?
Check Price and Availability of 4554-3078, 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 4554-3078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-3078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-3078
  • 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 4554-3078 available by request