5685-0596 Screening compound: 4-[(E)-{[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]imino}methyl]-2-methoxyphenyl 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate

5685-0596 Screening compound: 4-[(E)-{[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]imino}methyl]-2-methoxyphenyl 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate
5685-0596 Screening compound: 4-[(E)-{[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]imino}methyl]-2-methoxyphenyl 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5685-0596
4-[(E)-{[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]imino}methyl]-2-methoxyphenyl 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate

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

5685-0596

Molecular Formula

C22H18N4O7S2 (C22 H18 N4 O7 S2)

Compound Name

4-[(E)-{[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]imino}methyl]-2-methoxyphenyl 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate

IUPAC name

4-[(E)-{[2-(13-benzoxazol-2-ylsulfanyl)acetamido]imino}methyl]-2-methoxyphenyl 2-(24-dioxo-13-thiazolidin-5-yl)acetate

SMILES

COc(cc(/C=N/NC(CSc1nc(cccc2)c2o1)=O)cc1)c1OC(CC(C(N1)=O)SC1=O)=O

InChI

InChI=1S/C22H18N4O7S2/c1-31-16-8-12(6-7-15(16)32-19(28)9-17-20(29)25-21(30)35-17)10-23-26-18(27)11-34-22-24-13-4-2-3-5-14(13)33-22/h2-8,10,17H,9,11H2,1H3,(H,26,27)(H,25,29,30)/t17-/m0/s1

InChI Key

XATCTORQKJNVFS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02370223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.54

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-3.40

Polar Surface Area

117.445

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 5685-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5685-0596?
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What is the minimum amount of 5685-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5685-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5685-0596
  • 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 5685-0596 available by request