8016-4921 Screening compound: 3-{[(adamantan-1-yl)methyl]carbamoyl}-3-[(4-methylphenyl)methyl]propanoic acid

8016-4921 Screening compound: 3-{[(adamantan-1-yl)methyl]carbamoyl}-3-[(4-methylphenyl)methyl]propanoic acid
8016-4921 Screening compound: 3-{[(adamantan-1-yl)methyl]carbamoyl}-3-[(4-methylphenyl)methyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4921
3-{[(adamantan-1-yl)methyl]carbamoyl}-3-[(4-methylphenyl)methyl]propanoic 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

8016-4921

Molecular Formula

C23H31NO3 (C23 H31 NO3)

Compound Name

3-{[(adamantan-1-yl)methyl]carbamoyl}-3-[(4-methylphenyl)methyl]propanoic acid

IUPAC name

3-{[(adamantan-1-yl)methyl]carbamoyl}-3-[(4-methylphenyl)methyl]propanoic acid

SMILES

Cc1ccc(CC(CC(O)=O)C(NCC2(CC(C3)C4)CC4CC3C2)=O)cc1

InChI

InChI=1S/C23H31NO3/c1-15-2-4-16(5-3-15)9-20(10-21(25)26)22(27)24-14-23-11-17-6-18(12-23)8-19(7-17)13-23/h2-5,17-20H,6-14H2,1H3,(H,24,27)(H,25,26)/t17?,18?,19?,20-,23?/m1/s1

InChI Key

SUGKBEXQCFDKDX-LIPMQLJGSA-N

MDL Number (MFCD)

MFCD05856825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.117

Distribution Coefficient, logD

1.471

Water Solubility, LogSw

-4.10

Polar Surface Area

53.069

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

8016-4921 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-4921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4921?
Check Price and Availability of 8016-4921, 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 8016-4921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4921
  • 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 8016-4921 available by request