4052-4257 Screening compound: 2-(2,5-dimethoxyphenyl)-3-(4-methyl-3-nitrobenzenesulfonyl)-1,3-thiazolidine

4052-4257 Screening compound: 2-(2,5-dimethoxyphenyl)-3-(4-methyl-3-nitrobenzenesulfonyl)-1,3-thiazolidine
4052-4257 Screening compound: 2-(2,5-dimethoxyphenyl)-3-(4-methyl-3-nitrobenzenesulfonyl)-1,3-thiazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-4257
2-(2,5-dimethoxyphenyl)-3-(4-methyl-3-nitrobenzenesulfonyl)-1,3-thiazolidine

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

4052-4257

Molecular Formula

C18H20N2O6S2 (C18 H20 N2 O6 S2)

Compound Name

2-(2,5-dimethoxyphenyl)-3-(4-methyl-3-nitrobenzenesulfonyl)-1,3-thiazolidine

IUPAC name

2-(25-dimethoxyphenyl)-3-(4-methyl-3-nitrobenzenesulfonyl)-13-thiazolidine

SMILES

Cc(ccc(S(N1C(c(cc(cc2)OC)c2OC)SCC1)(=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C18H20N2O6S2/c1-12-4-6-14(11-16(12)20(21)22)28(23,24)19-8-9-27-18(19)15-10-13(25-2)5-7-17(15)26-3/h4-7,10-11,18H,8-9H2,1-3H3/t18-/m0/s1

InChI Key

WOROHKPIMZWWDD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02579916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.134

Distribution Coefficient, logD

4.134

Water Solubility, LogSw

-4.38

Polar Surface Area

80.771

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

-9.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4052-4257 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4052-4257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-4257?
Check Price and Availability of 4052-4257, 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 4052-4257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-4257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-4257
  • 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 4052-4257 available by request