4577-1840 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-cyclohexylacetamide

4577-1840 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-cyclohexylacetamide
4577-1840 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-1840
2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-cyclohexylacetamide

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

4577-1840

Molecular Formula

C21H22ClF3N2O3S (C21 H22 ClF3 N2 O3 S)

Compound Name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-cyclohexylacetamide

IUPAC name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-cyclohexylacetamide

SMILES

O=C(CN(c(cc(C(F)(F)F)cc1)c1Cl)S(c1ccccc1)(=O)=O)NC1CCCCC1

InChI

InChI=1S/C21H22ClF3N2O3S/c22-18-12-11-15(21(23,24)25)13-19(18)27(31(29,30)17-9-5-2-6-10-17)14-20(28)26-16-7-3-1-4-8-16/h2,5-6,9-13,16H,1,3-4,7-8,14H2,(H,26,28)

InChI Key

XVVWBROEFHDJQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03143658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.93

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

4.969

Distribution Coefficient, logD

4.969

Water Solubility, LogSw

-5.25

Polar Surface Area

55.688

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

4577-1840 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4577-1840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-1840?
Check Price and Availability of 4577-1840, 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 4577-1840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-1840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-1840
  • 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 4577-1840 available by request