1611-0435 Screening compound: N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide

1611-0435 Screening compound: N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide
1611-0435 Screening compound: N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-0435
N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide

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

1611-0435

Molecular Formula

C13H12F6N2O3 (C13 H12 F6 N2 O3)

Compound Name

N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide

IUPAC name

N-[3-acetamido-4-(112333-hexafluoropropoxy)phenyl]acetamide

SMILES

CC(Nc(cc1)cc(NC(C)=O)c1OC(C(C(F)(F)F)F)(F)F)=O

InChI

InChI=1S/C13H12F6N2O3/c1-6(22)20-8-3-4-10(9(5-8)21-7(2)23)24-13(18,19)11(14)12(15,16)17/h3-5,11H,1-2H3,(H,20,22)(H,21,23)/t11-/m1/s1

InChI Key

IZGPODODXIJRLL-LLVKDONJSA-N

MDL Number (MFCD)

MFCD00497900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.991

Distribution Coefficient, logD

1.990

Water Solubility, LogSw

-2.63

Polar Surface Area

52.173

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

1611-0435 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 1611-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-0435?
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What is the minimum amount of 1611-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-0435
  • 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 1611-0435 available by request