2389-2672 Screening compound: 3-[(5Z)-5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

2389-2672 Screening compound: 3-[(5Z)-5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
2389-2672 Screening compound: 3-[(5Z)-5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-2672
3-[(5Z)-5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic 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

2389-2672

Molecular Formula

C15H13NO5S2 (C15 H13 NO5 S2)

Compound Name

3-[(5Z)-5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

IUPAC name

3-[(5Z)-5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanoic acid

SMILES

COC(c1ccc(/C=C(/C(N2CCC(O)=O)=O)\SC2=S)cc1)=O

InChI

InChI=1S/C15H13NO5S2/c1-21-14(20)10-4-2-9(3-5-10)8-11-13(19)16(15(22)23-11)7-6-12(17)18/h2-5,8H,6-7H2,1H3,(H,17,18)

InChI Key

AWSDWAJDVYFTCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01654740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.750

Distribution Coefficient, logD

-0.782

Water Solubility, LogSw

-2.16

Polar Surface Area

66.250

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2389-2672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2389-2672?
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What is the minimum amount of 2389-2672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2389-2672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-2672
  • 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 2389-2672 available by request