4771-0139 Screening compound: (4-fluorophenyl)methyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

4771-0139 Screening compound: (4-fluorophenyl)methyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
4771-0139 Screening compound: (4-fluorophenyl)methyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4771-0139
(4-fluorophenyl)methyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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

4771-0139

Molecular Formula

C12H10F7NO2 (C12 H10 F7 NO2)

Compound Name

(4-fluorophenyl)methyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

IUPAC name

(4-fluorophenyl)methyl N-(111333-hexafluoro-2-methylpropan-2-yl)carbamate

SMILES

CC(C(F)(F)F)(C(F)(F)F)NC(OCc(cc1)ccc1F)=O

InChI

InChI=1S/C12H10F7NO2/c1-10(11(14,15)16,12(17,18)19)20-9(21)22-6-7-2-4-8(13)5-3-7/h2-5H,6H2,1H3,(H,20,21)

InChI Key

MOQPJDIEJOAXSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00574725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.21

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

4.032

Distribution Coefficient, logD

0.974

Water Solubility, LogSw

-4.25

Polar Surface Area

32.582

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

-7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 4771-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4771-0139?
Check Price and Availability of 4771-0139, 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 4771-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4771-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4771-0139
  • 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 4771-0139 available by request