4567-0984 Screening compound: 2-[2-chloro(methylsulfonyl)-5-(trifluoromethyl)anilino]-N~1~-cyclopropylacetamide

4567-0984 Screening compound: 2-[2-chloro(methylsulfonyl)-5-(trifluoromethyl)anilino]-N~1~-cyclopropylacetamide
4567-0984 Screening compound: 2-[2-chloro(methylsulfonyl)-5-(trifluoromethyl)anilino]-N~1~-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4567-0984
2-[2-chloro(methylsulfonyl)-5-(trifluoromethyl)anilino]-N~1~-cyclopropylacetamide

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

4567-0984

Molecular Formula

C13H14ClF3N2O3S (C13 H14 ClF3 N2 O3 S)

Compound Name

2-[2-chloro(methylsulfonyl)-5-(trifluoromethyl)anilino]-N~1~-cyclopropylacetamide

IUPAC name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}-N-cyclopropylacetamide

SMILES

CS(N(CC(NC1CC1)=O)c(cc(C(F)(F)F)cc1)c1Cl)(=O)=O

InChI

InChI=1S/C13H14ClF3N2O3S/c1-23(21,22)19(7-12(20)18-9-3-4-9)11-6-8(13(15,16)17)2-5-10(11)14/h2,5-6,9H,3-4,7H2,1H3,(H,18,20)

InChI Key

JHUFCPFWZKDPLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.189

Distribution Coefficient, logD

2.189

Water Solubility, LogSw

-3.39

Polar Surface Area

55.783

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

4567-0984 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4567-0984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4567-0984?
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What is the minimum amount of 4567-0984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4567-0984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4567-0984
  • 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 4567-0984 available by request