4489-3270 Screening compound: 2-[(5E)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

4489-3270 Screening compound: 2-[(5E)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
4489-3270 Screening compound: 2-[(5E)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-3270
2-[(5E)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

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

4489-3270

Molecular Formula

C18H15BrN2O3S2 (C18 H15 BrN2 O3 S2)

Compound Name

2-[(5E)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-{[1-(4-bromophenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

Cc1cc(/C=C(\C(N2CC(O)=O)=O)/SC2=S)c(C)n1-c(cc1)ccc1Br

InChI

InChI=1S/C18H15BrN2O3S2/c1-10-7-12(11(2)21(10)14-5-3-13(19)4-6-14)8-15-17(24)20(9-16(22)23)18(25)26-15/h3-8H,9H2,1-2H3,(H,22,23)

InChI Key

DUXWOUSSUPYMHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02316611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.001

Distribution Coefficient, logD

-0.118

Water Solubility, LogSw

-3.04

Polar Surface Area

47.763

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4489-3270 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4489-3270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-3270?
Check Price and Availability of 4489-3270, 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 4489-3270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-3270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-3270
  • 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 4489-3270 available by request