3382-0969 Screening compound: 3-(3-methylbenzenesulfonyl)-2-(4-nitrophenyl)-1,3-thiazolidine

3382-0969 Screening compound: 3-(3-methylbenzenesulfonyl)-2-(4-nitrophenyl)-1,3-thiazolidine
3382-0969 Screening compound: 3-(3-methylbenzenesulfonyl)-2-(4-nitrophenyl)-1,3-thiazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3382-0969
3-(3-methylbenzenesulfonyl)-2-(4-nitrophenyl)-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

3382-0969

Molecular Formula

C16H16N2O4S2 (C16 H16 N2 O4 S2)

Compound Name

3-(3-methylbenzenesulfonyl)-2-(4-nitrophenyl)-1,3-thiazolidine

IUPAC name

3-(3-methylbenzenesulfonyl)-2-(4-nitrophenyl)-13-thiazolidine

SMILES

Cc1cccc(S(N2C(c(cc3)ccc3[N+]([O-])=O)SCC2)(=O)=O)c1

InChI

InChI=1S/C16H16N2O4S2/c1-12-3-2-4-15(11-12)24(21,22)17-9-10-23-16(17)13-5-7-14(8-6-13)18(19)20/h2-8,11,16H,9-10H2,1H3/t16-/m0/s1

InChI Key

OBPMLWLFNCVJFM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02575414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.764

Water Solubility, LogSw

-3.83

Polar Surface Area

65.898

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3382-0969 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3382-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3382-0969?
Check Price and Availability of 3382-0969, 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 3382-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3382-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3382-0969
  • 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 3382-0969 available by request