1291-5240 Screening compound: 3-[3-(4-methylphenyl)adamantane-1-amido]benzoic acid

1291-5240 Screening compound: 3-[3-(4-methylphenyl)adamantane-1-amido]benzoic acid
1291-5240 Screening compound: 3-[3-(4-methylphenyl)adamantane-1-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1291-5240
3-[3-(4-methylphenyl)adamantane-1-amido]benzoic 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

1291-5240

Molecular Formula

C25H27NO3 (C25 H27 NO3)

Compound Name

3-[3-(4-methylphenyl)adamantane-1-amido]benzoic acid

IUPAC name

3-[3-(4-methylphenyl)adamantane-1-amido]benzoic acid

SMILES

Cc1ccc(C(CC(C2)C3)(CC2C2)CC23C(Nc2cccc(C(O)=O)c2)=O)cc1

InChI

InChI=1S/C25H27NO3/c1-16-5-7-20(8-6-16)24-11-17-9-18(12-24)14-25(13-17,15-24)23(29)26-21-4-2-3-19(10-21)22(27)28/h2-8,10,17-18H,9,11-15H2,1H3,(H,26,29)(H,27,28)

InChI Key

YMTISLCQXGXNOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02072192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.902

Distribution Coefficient, logD

4.016

Water Solubility, LogSw

-5.57

Polar Surface Area

51.500

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

1291-5240 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1291-5240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1291-5240?
Check Price and Availability of 1291-5240, 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 1291-5240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1291-5240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1291-5240
  • 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 1291-5240 available by request