0928-0047 Screening compound: 3-[(3-bromoanilino)methyl]-1,3-thiazolane-2,4-dione

0928-0047 Screening compound: 3-[(3-bromoanilino)methyl]-1,3-thiazolane-2,4-dione
0928-0047 Screening compound: 3-[(3-bromoanilino)methyl]-1,3-thiazolane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0928-0047
3-[(3-bromoanilino)methyl]-1,3-thiazolane-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

0928-0047

Molecular Formula

C10H9BrN2O2S (C10 H9 BrN2 O2 S)

Compound Name

3-[(3-bromoanilino)methyl]-1,3-thiazolane-2,4-dione

IUPAC name

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

SMILES

O=C(CS1)N(CNc2cccc(Br)c2)C1=O

InChI

InChI=1S/C10H9BrN2O2S/c11-7-2-1-3-8(4-7)12-6-13-9(14)5-16-10(13)15/h1-4,12H,5-6H2

InChI Key

XZJMJXJXXOOKMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00642772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.16

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

2.447

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-2.73

Polar Surface Area

41.305

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0928-0047 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0928-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0928-0047?
Check Price and Availability of 0928-0047, 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 0928-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0928-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0928-0047
  • 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 0928-0047 available by request