4944-0040 Screening compound: 4-{[(2E)-5-{[(3-methoxyphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid

4944-0040 Screening compound: 4-{[(2E)-5-{[(3-methoxyphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
4944-0040 Screening compound: 4-{[(2E)-5-{[(3-methoxyphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4944-0040
4-{[(2E)-5-{[(3-methoxyphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic 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

4944-0040

Molecular Formula

C19H17N3O5S (C19 H17 N3 O5 S)

Compound Name

4-{[(2E)-5-{[(3-methoxyphenyl)carbamoyl]methyl}-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid

IUPAC name

4-{[(2E)-5-{[(3-methoxyphenyl)carbamoyl]methyl}-4-oxo-13-thiazolidin-2-ylidene]amino}benzoic acid

SMILES

COc1cccc(NC(CC(C(N2)=O)S/C2=N/c(cc2)ccc2C(O)=O)=O)c1

InChI

InChI=1S/C19H17N3O5S/c1-27-14-4-2-3-13(9-14)20-16(23)10-15-17(24)22-19(28-15)21-12-7-5-11(6-8-12)18(25)26/h2-9,15H,10H2,1H3,(H,20,23)(H,25,26)(H,21,22,24)/t15-/m0/s1

InChI Key

VNRJNQGXQOCWIO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08671191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.673

Distribution Coefficient, logD

-0.717

Water Solubility, LogSw

-3.10

Polar Surface Area

92.254

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 4944-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4944-0040?
Check Price and Availability of 4944-0040, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4944-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4944-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4944-0040
  • 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 4944-0040 available by request