2027-0123 Screening compound: methyl 4-{[(5E)-3-[(morpholin-4-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate

2027-0123 Screening compound: methyl 4-{[(5E)-3-[(morpholin-4-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate
2027-0123 Screening compound: methyl 4-{[(5E)-3-[(morpholin-4-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2027-0123
methyl 4-{[(5E)-3-[(morpholin-4-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate

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

2027-0123

Molecular Formula

C17H18N2O5S (C17 H18 N2 O5 S)

Compound Name

methyl 4-{[(5E)-3-[(morpholin-4-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate

IUPAC name

methyl 4-{[(5E)-3-[(morpholin-4-yl)methyl]-24-dioxo-13-thiazolidin-5-ylidene]methyl}benzoate

SMILES

COC(c1ccc(/C=C(\C(N2CN3CCOCC3)=O)/SC2=O)cc1)=O

InChI

InChI=1S/C17H18N2O5S/c1-23-16(21)13-4-2-12(3-5-13)10-14-15(20)19(17(22)25-14)11-18-6-8-24-9-7-18/h2-5,10H,6-9,11H2,1H3

InChI Key

KEHZMXDMVYZURE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01326647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.424

Distribution Coefficient, logD

2.414

Water Solubility, LogSw

-2.42

Polar Surface Area

64.104

Acid Dissociation Constant (pKa)

28.81

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 2027-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2027-0123?
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What is the minimum amount of 2027-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2027-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2027-0123
  • 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 2027-0123 available by request