0111-0165 Screening compound: 1,3-bis(adamantan-1-yl)urea

0111-0165 Screening compound: 1,3-bis(adamantan-1-yl)urea
0111-0165 Screening compound: 1,3-bis(adamantan-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0111-0165
1,3-bis(adamantan-1-yl)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

0111-0165

Molecular Formula

C21H32N2O (C21 H32 N2 O)

Compound Name

1,3-bis(adamantan-1-yl)urea

IUPAC name

13-bis(adamantan-1-yl)urea

SMILES

O=C(NC1(CC(C2)C3)CC3CC2C1)NC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C21H32N2O/c24-19(22-20-7-13-1-14(8-20)3-15(2-13)9-20)23-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H2,22,23,24)

InChI Key

CHZFWQHXHXBIQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03104471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.151

Distribution Coefficient, logD

5.148

Water Solubility, LogSw

-5.26

Polar Surface Area

34.577

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

95.20

0111-0165 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Human Phosphatases Annotated Library (206 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0111-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0111-0165?
Check Price and Availability of 0111-0165, 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 0111-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0111-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0111-0165
  • 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 0111-0165 available by request