0111-0055 Screening compound: 2-(adamantan-1-yl)-2-bromoacetamide

0111-0055 Screening compound: 2-(adamantan-1-yl)-2-bromoacetamide
0111-0055 Screening compound: 2-(adamantan-1-yl)-2-bromoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0111-0055
2-(adamantan-1-yl)-2-bromoacetamide

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

0111-0055

Molecular Formula

C12H18BrNO (C12 H18 BrNO)

Compound Name

2-(adamantan-1-yl)-2-bromoacetamide

IUPAC name

2-(adamantan-1-yl)-2-bromoacetamide

SMILES

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

InChI

InChI=1S/C12H18BrNO/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6H2,(H2,14,15)/t7?,8?,9?,10-,12?/m1/s1

InChI Key

IHWFKAOWMRMPIA-PZLWRYNDSA-N

MDL Number (MFCD)

MFCD00154610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.19

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.664

Distribution Coefficient, logD

2.664

Water Solubility, LogSw

-2.58

Polar Surface Area

34.331

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

91.70

0111-0055 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0111-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0111-0055?
Check Price and Availability of 0111-0055, 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 0111-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0111-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0111-0055
  • 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 0111-0055 available by request