5643-0529 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)butanoate

5643-0529 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)butanoate
5643-0529 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5643-0529
2-(4-chlorophenyl)-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)butanoate

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

5643-0529

Molecular Formula

C21H28ClNO4S (C21 H28 ClNO4 S)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)butanoate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)butanoate

SMILES

CC(CC1)CCC1C(NC(CCSC)C(OCC(c(cc1)ccc1Cl)=O)=O)=O

InChI

InChI=1S/C21H28ClNO4S/c1-14-3-5-16(6-4-14)20(25)23-18(11-12-28-2)21(26)27-13-19(24)15-7-9-17(22)10-8-15/h7-10,14,16,18H,3-6,11-13H2,1-2H3,(H,23,25)/t14?,16?,18-/m0/s1

InChI Key

KDTYRWCLPWOJPC-PVARCSIZSA-N

MDL Number (MFCD)

MFCD03725671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.650

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-4.81

Polar Surface Area

58.850

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

5643-0529 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5643-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5643-0529?
Check Price and Availability of 5643-0529, 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 5643-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5643-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5643-0529
  • 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 5643-0529 available by request