5643-0528 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(3,4-dimethoxyphenyl)formamido]-4-(methylsulfanyl)butanoate

5643-0528 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(3,4-dimethoxyphenyl)formamido]-4-(methylsulfanyl)butanoate
5643-0528 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(3,4-dimethoxyphenyl)formamido]-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5643-0528
2-(4-chlorophenyl)-2-oxoethyl 2-[(3,4-dimethoxyphenyl)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

5643-0528

Molecular Formula

C22H24ClNO6S (C22 H24 ClNO6 S)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 2-[(3,4-dimethoxyphenyl)formamido]-4-(methylsulfanyl)butanoate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 2-[(34-dimethoxyphenyl)formamido]-4-(methylsulfanyl)butanoate

SMILES

COc(ccc(C(NC(CCSC)C(OCC(c(cc1)ccc1Cl)=O)=O)=O)c1)c1OC

InChI

InChI=1S/C22H24ClNO6S/c1-28-19-9-6-15(12-20(19)29-2)21(26)24-17(10-11-31-3)22(27)30-13-18(25)14-4-7-16(23)8-5-14/h4-9,12,17H,10-11,13H2,1-3H3,(H,24,26)/t17-/m0/s1

InChI Key

KFTNKTMVQRIBBW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03827821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.95

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-3.58

Polar Surface Area

73.919

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

5643-0528 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 5643-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5643-0528?
Check Price and Availability of 5643-0528, 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 5643-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5643-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5643-0528
  • 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 5643-0528 available by request