3229-2104 Screening compound: 2-[(5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

3229-2104 Screening compound: 2-[(5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
3229-2104 Screening compound: 2-[(5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2104
2-[(5E)-5-{[5-(2-chloro-5-nitrophenyl)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

3229-2104

Molecular Formula

C16H9ClN2O6S2 (C16 H9 ClN2 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)cc(-c2ccc(/C=C(\C(N3CC(O)=O)=O)/SC3=S)o2)c1Cl)=O

InChI

InChI=1S/C16H9ClN2O6S2/c17-11-3-1-8(19(23)24)5-10(11)12-4-2-9(25-12)6-13-15(22)18(7-14(20)21)16(26)27-13/h1-6H,7H2,(H,20,21)

InChI Key

HAMXKLVFKPINFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01590806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.84

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

-0.210

Water Solubility, LogSw

-3.55

Polar Surface Area

86.049

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3229-2104 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3229-2104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2104?
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What is the minimum amount of 3229-2104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2104
  • 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 3229-2104 available by request