3229-2080 Screening compound: 2-[(5E)-5-{[3-methoxy-4-(4-methylbenzoyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

3229-2080 Screening compound: 2-[(5E)-5-{[3-methoxy-4-(4-methylbenzoyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
3229-2080 Screening compound: 2-[(5E)-5-{[3-methoxy-4-(4-methylbenzoyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2080
2-[(5E)-5-{[3-methoxy-4-(4-methylbenzoyloxy)phenyl]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

3229-2080

Molecular Formula

C21H17NO6S2 (C21 H17 NO6 S2)

Compound Name

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

IUPAC name

2-[(5E)-5-{[3-methoxy-4-(4-methylbenzoyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

Cc(cc1)ccc1C(Oc(ccc(/C=C(\C(N1CC(O)=O)=O)/SC1=S)c1)c1OC)=O

InChI

InChI=1S/C21H17NO6S2/c1-12-3-6-14(7-4-12)20(26)28-15-8-5-13(9-16(15)27-2)10-17-19(25)22(11-18(23)24)21(29)30-17/h3-10H,11H2,1-2H3,(H,23,24)

InChI Key

KNJCVDSHTBIZKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01836099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.730

Distribution Coefficient, logD

-0.389

Water Solubility, LogSw

-3.12

Polar Surface Area

73.193

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 3229-2080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2080?
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What is the minimum amount of 3229-2080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2080
  • 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 3229-2080 available by request