8013-2062 Screening compound: N-(1,1,1,3,3,3-hexafluoro-2-{[4-(trifluoromethoxy)phenyl]amino}propan-2-yl)-3-phenylpropanamide

8013-2062 Screening compound: N-(1,1,1,3,3,3-hexafluoro-2-{[4-(trifluoromethoxy)phenyl]amino}propan-2-yl)-3-phenylpropanamide
8013-2062 Screening compound: N-(1,1,1,3,3,3-hexafluoro-2-{[4-(trifluoromethoxy)phenyl]amino}propan-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2062
N-(1,1,1,3,3,3-hexafluoro-2-{[4-(trifluoromethoxy)phenyl]amino}propan-2-yl)-3-phenylpropanamide

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

8013-2062

Molecular Formula

C19H15F9N2O2 (C19 H15 F9 N2 O2)

Compound Name

N-(1,1,1,3,3,3-hexafluoro-2-{[4-(trifluoromethoxy)phenyl]amino}propan-2-yl)-3-phenylpropanamide

IUPAC name

N-(111333-hexafluoro-2-{[4-(trifluoromethoxy)phenyl]amino}propan-2-yl)-3-phenylpropanamide

SMILES

O=C(CCc1ccccc1)NC(C(F)(F)F)(C(F)(F)F)Nc(cc1)ccc1OC(F)(F)F

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.120

Distribution Coefficient, logD

1.966

Water Solubility, LogSw

-5.94

Polar Surface Area

39.250

Acid Dissociation Constant (pKa)

3.25

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

8013-2062 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-2062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2062?
Check Price and Availability of 8013-2062, 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 8013-2062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2062
  • 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 8013-2062 available by request