4577-1125 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}-N-[4-(propan-2-yl)phenyl]acetamide

4577-1125 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}-N-[4-(propan-2-yl)phenyl]acetamide
4577-1125 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-1125
2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}-N-[4-(propan-2-yl)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

4577-1125

Molecular Formula

C19H20ClF3N2O3S (C19 H20 ClF3 N2 O3 S)

Compound Name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}-N-[4-(propan-2-yl)phenyl]acetamide

IUPAC name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(CN(c(cc(C(F)(F)F)cc1)c1Cl)S(C)(=O)=O)=O

InChI

InChI=1S/C19H20ClF3N2O3S/c1-12(2)13-4-7-15(8-5-13)24-18(26)11-25(29(3,27)28)17-10-14(19(21,22)23)6-9-16(17)20/h4-10,12H,11H2,1-3H3,(H,24,26)

InChI Key

PAUJBRZGEWFIJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03144439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.057

Distribution Coefficient, logD

5.057

Water Solubility, LogSw

-5.47

Polar Surface Area

54.405

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

4577-1125 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4577-1125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-1125?
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What is the minimum amount of 4577-1125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-1125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-1125
  • 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 4577-1125 available by request