1934-0029 Screening compound: 2-methoxy-4-{[(2Z,5E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate

1934-0029 Screening compound: 2-methoxy-4-{[(2Z,5E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate
1934-0029 Screening compound: 2-methoxy-4-{[(2Z,5E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1934-0029
2-methoxy-4-{[(2Z,5E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate

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

1934-0029

Molecular Formula

C24H17N3O6S (C24 H17 N3 O6 S)

Compound Name

2-methoxy-4-{[(2Z,5E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate

IUPAC name

2-methoxy-4-{[(2Z5E)-4-oxo-2-(phenylimino)-13-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate

SMILES

COc(cc(/C=C(\C(N1)=O)/S/C1=N\c1ccccc1)cc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C24H17N3O6S/c1-32-20-13-15(14-21-22(28)26-24(34-21)25-17-5-3-2-4-6-17)7-12-19(20)33-23(29)16-8-10-18(11-9-16)27(30)31/h2-14H,1H3,(H,25,26,28)

InChI Key

ZMFVEAVWXUMJQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.153

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.53

Polar Surface Area

94.629

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

1934-0029 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 1934-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1934-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1934-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1934-0029
  • 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 1934-0029 available by request