2310-6318 Screening compound: 3-(adamantan-1-yl)-1-(4-ethoxyphenyl)urea

2310-6318 Screening compound: 3-(adamantan-1-yl)-1-(4-ethoxyphenyl)urea
2310-6318 Screening compound: 3-(adamantan-1-yl)-1-(4-ethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 2310-6318
3-(adamantan-1-yl)-1-(4-ethoxyphenyl)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

2310-6318

Molecular Formula

C19H26N2O2 (C19 H26 N2 O2)

Compound Name

3-(adamantan-1-yl)-1-(4-ethoxyphenyl)urea

IUPAC name

3-(adamantan-1-yl)-1-(4-ethoxyphenyl)urea

SMILES

CCOc(cc1)ccc1NC(NC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C19H26N2O2/c1-2-23-17-5-3-16(4-6-17)20-18(22)21-19-10-13-7-14(11-19)9-15(8-13)12-19/h3-6,13-15H,2,7-12H2,1H3,(H2,20,21,22)

InChI Key

KPLXQTZYWXBIMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.780

Distribution Coefficient, logD

4.780

Water Solubility, LogSw

-4.42

Polar Surface Area

40.683

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

2310-6318 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 2310-6318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2310-6318?
Check Price and Availability of 2310-6318, 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 2310-6318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2310-6318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2310-6318
  • 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 2310-6318 available by request