3681-1279 Screening compound: (5Z)-2-imino-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

3681-1279 Screening compound: (5Z)-2-imino-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
3681-1279 Screening compound: (5Z)-2-imino-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3681-1279
(5Z)-2-imino-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

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

3681-1279

Molecular Formula

C12H11IN2O3S (C12 H11 IN2 O3 S)

Compound Name

(5Z)-2-imino-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(5Z)-2-imino-5-[(3-iodo-45-dimethoxyphenyl)methylidene]-13-thiazolidin-4-one

SMILES

COc1cc(/C=C(/C(N2)=O)\SC2=N)cc(I)c1OC

InChI

InChI=1S/C12H11IN2O3S/c1-17-8-4-6(3-7(13)10(8)18-2)5-9-11(16)15-12(14)19-9/h3-5H,1-2H3,(H2,14,15,16)

InChI Key

QMJSDZWUGFZQNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02377516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.216

Distribution Coefficient, logD

2.214

Water Solubility, LogSw

-2.96

Polar Surface Area

57.861

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3681-1279 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3681-1279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3681-1279?
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What is the minimum amount of 3681-1279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3681-1279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3681-1279
  • 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 3681-1279 available by request