1187-1611 Screening compound: N-(adamantan-1-yl)-2,2,2-trifluoroacetamide

1187-1611 Screening compound: N-(adamantan-1-yl)-2,2,2-trifluoroacetamide
1187-1611 Screening compound: N-(adamantan-1-yl)-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-1611
N-(adamantan-1-yl)-2,2,2-trifluoroacetamide

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

1187-1611

Molecular Formula

C12H16F3NO (C12 H16 F3 NO)

Compound Name

N-(adamantan-1-yl)-2,2,2-trifluoroacetamide

IUPAC name

N-(adamantan-1-yl)-222-trifluoroacetamide

SMILES

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

InChI

InChI=1S/C12H16F3NO/c13-12(14,15)10(17)16-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,16,17)

InChI Key

CMKIOJNRXWXMCG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-3.21

Polar Surface Area

24.619

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

91.70

1187-1611 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with 1187-1611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-1611?
Check Price and Availability of 1187-1611, 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 1187-1611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-1611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-1611
  • 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 1187-1611 available by request