1493-0400 Screening compound: 2-[4-(adamantan-1-yl)phenoxy]acetic acid

1493-0400 Screening compound: 2-[4-(adamantan-1-yl)phenoxy]acetic acid
1493-0400 Screening compound: 2-[4-(adamantan-1-yl)phenoxy]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1493-0400
2-[4-(adamantan-1-yl)phenoxy]acetic 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

1493-0400

Molecular Formula

C18H22O3 (C18 H22 O3)

Compound Name

2-[4-(adamantan-1-yl)phenoxy]acetic acid

IUPAC name

2-[4-(adamantan-1-yl)phenoxy]acetic acid

SMILES

OC(COc1ccc(C2(CC(C3)C4)CC4CC3C2)cc1)=O

InChI

InChI=1S/C18H22O3/c19-17(20)11-21-16-3-1-15(2-4-16)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,19,20)

InChI Key

WIWCHWGNONICJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00168197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.706

Distribution Coefficient, logD

0.469

Water Solubility, LogSw

-4.63

Polar Surface Area

35.883

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

1493-0400 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1493-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1493-0400?
Check Price and Availability of 1493-0400, 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 1493-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1493-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1493-0400
  • 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 1493-0400 available by request