0638-0009 Screening compound: 2-(4-methoxyphenyl)-3-(3-methylbenzenesulfonyl)-1,3-thiazolidine

0638-0009 Screening compound: 2-(4-methoxyphenyl)-3-(3-methylbenzenesulfonyl)-1,3-thiazolidine
0638-0009 Screening compound: 2-(4-methoxyphenyl)-3-(3-methylbenzenesulfonyl)-1,3-thiazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0638-0009
2-(4-methoxyphenyl)-3-(3-methylbenzenesulfonyl)-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

0638-0009

Molecular Formula

C17H19NO3S2 (C17 H19 NO3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(S(N2C(c(cc3)ccc3OC)SCC2)(=O)=O)c1

InChI

InChI=1S/C17H19NO3S2/c1-13-4-3-5-16(12-13)23(19,20)18-10-11-22-17(18)14-6-8-15(21-2)9-7-14/h3-9,12,17H,10-11H2,1-2H3/t17-/m0/s1

InChI Key

DYKFDOFXAXCXMW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00990229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.820

Water Solubility, LogSw

-3.94

Polar Surface Area

40.060

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

-10.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

0638-0009 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0638-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0638-0009?
Check Price and Availability of 0638-0009, 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 0638-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0638-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0638-0009
  • 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 0638-0009 available by request