8016-5512 Screening compound: N-[2-(1-adamantyloxy)-1,1-dimethylethyl]-N'-(4-methoxyphenyl)urea

8016-5512 Screening compound: N-[2-(1-adamantyloxy)-1,1-dimethylethyl]-N'-(4-methoxyphenyl)urea
8016-5512 Screening compound: N-[2-(1-adamantyloxy)-1,1-dimethylethyl]-N'-(4-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5512
N-[2-(1-adamantyloxy)-1,1-dimethylethyl]-N'-(4-methoxyphenyl)urea

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

8016-5512

Molecular Formula

C22H32N2O3 (C22 H32 N2 O3)

Compound Name

N-[2-(1-adamantyloxy)-1,1-dimethylethyl]-N'-(4-methoxyphenyl)urea

IUPAC name

3-[1-(adamantan-1-yloxy)-2-methylpropan-2-yl]-1-(4-methoxyphenyl)urea

SMILES

CC(C)(COC1(CC(C2)C3)CC3CC2C1)NC(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C22H32N2O3/c1-21(2,24-20(25)23-18-4-6-19(26-3)7-5-18)14-27-22-11-15-8-16(12-22)10-17(9-15)13-22/h4-7,15-17H,8-14H2,1-3H3,(H2,23,24,25)

InChI Key

JXHKFOSZTKOGCI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.271

Distribution Coefficient, logD

5.271

Water Solubility, LogSw

-5.31

Polar Surface Area

47.041

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.18

8016-5512 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 8016-5512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5512?
Check Price and Availability of 8016-5512, 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 8016-5512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5512
  • 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 8016-5512 available by request