0416-0104 Screening compound: 1-[1-(adamantan-1-yl)ethyl]-3-propylurea

0416-0104 Screening compound: 1-[1-(adamantan-1-yl)ethyl]-3-propylurea
0416-0104 Screening compound: 1-[1-(adamantan-1-yl)ethyl]-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0416-0104
1-[1-(adamantan-1-yl)ethyl]-3-propylurea

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

0416-0104

Molecular Formula

C16H28N2O (C16 H28 N2 O)

Compound Name

1-[1-(adamantan-1-yl)ethyl]-3-propylurea

IUPAC name

1-[1-(adamantan-1-yl)ethyl]-3-propylurea

SMILES

CCCNC(NC(C)C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C16H28N2O/c1-3-4-17-15(19)18-11(2)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14H,3-10H2,1-2H3,(H2,17,18,19)/t11-,12?,13?,14?,16?/m0/s1

InChI Key

SPOAXYGQRMXOPM-IKMFHRHGSA-N

MDL Number (MFCD)

MFCD01825581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.56

Polar Surface Area

34.495

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

93.80

0416-0104 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0416-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0416-0104?
Check Price and Availability of 0416-0104, 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 0416-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0416-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0416-0104
  • 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 0416-0104 available by request