4770-1327 Screening compound: benzyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

4770-1327 Screening compound: benzyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
4770-1327 Screening compound: benzyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4770-1327
benzyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

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

4770-1327

Molecular Formula

C11H9F6NO2 (C11 H9 F6 NO2)

Compound Name

benzyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

IUPAC name

benzyl N-(111333-hexafluoropropan-2-yl)carbamate

SMILES

O=C(NC(C(F)(F)F)C(F)(F)F)OCc1ccccc1

InChI

InChI=1S/C11H9F6NO2/c12-10(13,14)8(11(15,16)17)18-9(19)20-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,18,19)

InChI Key

QOQHIWAMVMKKOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00575430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

1.077

Water Solubility, LogSw

-4.15

Polar Surface Area

32.732

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

4770-1327 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 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

Therapeutical areas:
  • Cancer
  • Immune system
  • 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
Targets:
  • Others
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4770-1327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4770-1327?
Check Price and Availability of 4770-1327, 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 4770-1327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4770-1327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4770-1327
  • 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 4770-1327 available by request