3229-1528 Screening compound: 4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate

3229-1528 Screening compound: 4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate
3229-1528 Screening compound: 4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1528
4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate

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

3229-1528

Molecular Formula

C17H10BrNO3S2 (C17 H10 BrNO3 S2)

Compound Name

4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate

IUPAC name

4-{[(5E)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate

SMILES

O=C(c1cccc(Br)c1)Oc1ccc(/C=C(\C(N2)=O)/SC2=S)cc1

InChI

InChI=1S/C17H10BrNO3S2/c18-12-3-1-2-11(9-12)16(21)22-13-6-4-10(5-7-13)8-14-15(20)19-17(23)24-14/h1-9H,(H,19,20,23)

InChI Key

OKCBXSVRFHIHBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00645840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-3.85

Polar Surface Area

45.278

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3229-1528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1528?
Check Price and Availability of 3229-1528, 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 3229-1528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1528
  • 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 3229-1528 available by request