3649-0040 Screening compound: 2-[(5E)-5-{[5-(3,5-dichlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

3649-0040 Screening compound: 2-[(5E)-5-{[5-(3,5-dichlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
3649-0040 Screening compound: 2-[(5E)-5-{[5-(3,5-dichlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3649-0040
2-[(5E)-5-{[5-(3,5-dichlorophenyl)furan-2-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

3649-0040

Molecular Formula

C16H9Cl2NO4S2 (C16 H9 Cl2 NO4 S2)

Compound Name

2-[(5E)-5-{[5-(3,5-dichlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-{[5-(35-dichlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

OC(CN(C(/C(/S1)=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)=O)C1=S)=O

InChI

InChI=1S/C16H9Cl2NO4S2/c17-9-3-8(4-10(18)5-9)12-2-1-11(23-12)6-13-15(22)19(7-14(20)21)16(24)25-13/h1-6H,7H2,(H,20,21)

InChI Key

CNYIHZMWZVWMRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.833

Distribution Coefficient, logD

0.714

Water Solubility, LogSw

-4.10

Polar Surface Area

52.668

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3649-0040 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3649-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3649-0040?
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What is the minimum amount of 3649-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3649-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3649-0040
  • 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 3649-0040 available by request