4405-0671 Screening compound: 2-[(2E)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

4405-0671 Screening compound: 2-[(2E)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
4405-0671 Screening compound: 2-[(2E)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4405-0671
2-[(2E)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-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

4405-0671

Molecular Formula

C12H10BrN3O3S (C12 H10 BrN3 O3 S)

Compound Name

2-[(2E)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

IUPAC name

2-[(2E)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazin-1-ylidene]-4-oxo-13-thiazolidin-5-yl]acetic acid

SMILES

OC(CC(C(N1)=O)S/C1=N/N=C/c(cc1)ccc1Br)=O

InChI

InChI=1S/C12H10BrN3O3S/c13-8-3-1-7(2-4-8)6-14-16-12-15-11(19)9(20-12)5-10(17)18/h1-4,6,9H,5H2,(H,17,18)(H,15,16,19)/t9-/m1/s1

InChI Key

BWOUJPRBGHSJCP-SECBINFHSA-N

MDL Number (MFCD)

MFCD00553383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.728

Distribution Coefficient, logD

-1.058

Water Solubility, LogSw

-2.49

Polar Surface Area

73.074

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

4405-0671 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4405-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4405-0671?
Check Price and Availability of 4405-0671, 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 4405-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4405-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4405-0671
  • 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 4405-0671 available by request