4770-1414 Screening compound: 3,4-dimethylphenyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

4770-1414 Screening compound: 3,4-dimethylphenyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
4770-1414 Screening compound: 3,4-dimethylphenyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4770-1414
3,4-dimethylphenyl 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

4770-1414

Molecular Formula

C13H13F6NO2 (C13 H13 F6 NO2)

Compound Name

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

IUPAC name

34-dimethylphenyl N-(111333-hexafluoro-2-methylpropan-2-yl)carbamate

SMILES

CC(C(F)(F)F)(C(F)(F)F)NC(Oc1cc(C)c(C)cc1)=O

InChI

InChI=1S/C13H13F6NO2/c1-7-4-5-9(6-8(7)2)22-10(21)20-11(3,12(14,15)16)13(17,18)19/h4-6H,1-3H3,(H,20,21)

InChI Key

WESTWBRHGRAJOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00575512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.757

Distribution Coefficient, logD

1.993

Water Solubility, LogSw

-4.55

Polar Surface Area

32.102

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

-8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

4770-1414 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4770-1414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4770-1414?
Check Price and Availability of 4770-1414, 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 4770-1414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4770-1414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4770-1414
  • 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 4770-1414 available by request