J090-0599 Screening compound: 3-{[(3,4-difluorophenyl)amino]methyl}-1,3-thiazolidine-2,4-dione

J090-0599 Screening compound: 3-{[(3,4-difluorophenyl)amino]methyl}-1,3-thiazolidine-2,4-dione
J090-0599 Screening compound: 3-{[(3,4-difluorophenyl)amino]methyl}-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J090-0599
3-{[(3,4-difluorophenyl)amino]methyl}-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

J090-0599

Molecular Formula

C10H8F2N2O2S (C10 H8 F2 N2 O2 S)

Compound Name

3-{[(3,4-difluorophenyl)amino]methyl}-1,3-thiazolidine-2,4-dione

IUPAC name

3-{[(34-difluorophenyl)amino]methyl}-13-thiazolidine-24-dione

SMILES

O=C(CS1)N(CNc(cc2)cc(F)c2F)C1=O

InChI

InChI=1S/C10H8F2N2O2S/c11-7-2-1-6(3-8(7)12)13-5-14-9(15)4-17-10(14)16/h1-3,13H,4-5H2

InChI Key

SXIOIMRYADNDOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.996

Distribution Coefficient, logD

1.996

Water Solubility, LogSw

-2.54

Polar Surface Area

41.305

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J090-0599 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J090-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J090-0599?
Check Price and Availability of J090-0599, 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 J090-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J090-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J090-0599
  • 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 J090-0599 available by request