1309-1272 Screening compound: 2-fluoro-N-{2,2,2-trichloro-1-[(quinolin-8-yl)amino]ethyl}acetamide

1309-1272 Screening compound: 2-fluoro-N-{2,2,2-trichloro-1-[(quinolin-8-yl)amino]ethyl}acetamide
1309-1272 Screening compound: 2-fluoro-N-{2,2,2-trichloro-1-[(quinolin-8-yl)amino]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-1272
2-fluoro-N-{2,2,2-trichloro-1-[(quinolin-8-yl)amino]ethyl}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

1309-1272

Molecular Formula

C13H11Cl3FN3O (C13 H11 Cl3 FN3 O)

Compound Name

2-fluoro-N-{2,2,2-trichloro-1-[(quinolin-8-yl)amino]ethyl}acetamide

IUPAC name

2-fluoro-N-{222-trichloro-1-[(quinolin-8-yl)amino]ethyl}acetamide

SMILES

O=C(CF)NC(C(Cl)(Cl)Cl)Nc1cccc2cccnc12

InChI

InChI=1S/C13H11Cl3FN3O/c14-13(15,16)12(20-10(21)7-17)19-9-5-1-3-8-4-2-6-18-11(8)9/h1-6,12,19H,7H2,(H,20,21)/t12-/m1/s1

InChI Key

FLSAYDXYMINGNG-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD00548715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.525

Distribution Coefficient, logD

2.276

Water Solubility, LogSw

-3.18

Polar Surface Area

42.343

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

1309-1272 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1309-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-1272?
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What is the minimum amount of 1309-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-1272
  • 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 1309-1272 available by request