0670-2391 Screening compound: 2-[4-(adamantan-1-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide

0670-2391 Screening compound: 2-[4-(adamantan-1-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
0670-2391 Screening compound: 2-[4-(adamantan-1-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0670-2391
2-[4-(adamantan-1-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide

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

0670-2391

Molecular Formula

C26H31NO3 (C26 H31 NO3)

Compound Name

2-[4-(adamantan-1-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-[4-(adamantan-1-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(COc1ccc(C2(CC(C3)C4)CC4CC3C2)cc1)=O

InChI

InChI=1S/C26H31NO3/c1-2-29-23-9-5-22(6-10-23)27-25(28)17-30-24-7-3-21(4-8-24)26-14-18-11-19(15-26)13-20(12-18)16-26/h3-10,18-20H,2,11-17H2,1H3,(H,27,28)

InChI Key

WNSFCVHHKMQMNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.651

Distribution Coefficient, logD

6.651

Water Solubility, LogSw

-5.80

Polar Surface Area

37.501

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

0670-2391 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0670-2391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0670-2391?
Check Price and Availability of 0670-2391, 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 0670-2391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0670-2391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0670-2391
  • 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 0670-2391 available by request