6622-0082 Screening compound: 5-[(4-butylphenyl)amino]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione

6622-0082 Screening compound: 5-[(4-butylphenyl)amino]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
6622-0082 Screening compound: 5-[(4-butylphenyl)amino]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6622-0082
5-[(4-butylphenyl)amino]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione

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

6622-0082

Molecular Formula

C20H22N2O2S (C20 H22 N2 O2 S)

Compound Name

5-[(4-butylphenyl)amino]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione

IUPAC name

5-[(4-butylphenyl)amino]-3-(2-methylphenyl)-13-thiazolidine-24-dione

SMILES

CCCCc(cc1)ccc1NC(C(N1c2c(C)cccc2)=O)SC1=O

InChI

InChI=1S/C20H22N2O2S/c1-3-4-8-15-10-12-16(13-11-15)21-18-19(23)22(20(24)25-18)17-9-6-5-7-14(17)2/h5-7,9-13,18,21H,3-4,8H2,1-2H3/t18-/m0/s1

InChI Key

PTFPFLQBBPDQAU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04159678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.426

Distribution Coefficient, logD

5.426

Water Solubility, LogSw

-5.28

Polar Surface Area

38.083

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

6622-0082 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6622-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6622-0082?
Check Price and Availability of 6622-0082, 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 6622-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6622-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6622-0082
  • 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 6622-0082 available by request