E012-0617 Screening compound: N4-[(4-fluorophenyl)methyl]-N3-(2-methoxyphenyl)-2-(2-methylphenyl)-1,3-thiazolidine-3,4-dicarboxamide

E012-0617 Screening compound: N4-[(4-fluorophenyl)methyl]-N3-(2-methoxyphenyl)-2-(2-methylphenyl)-1,3-thiazolidine-3,4-dicarboxamide
E012-0617 Screening compound: N4-[(4-fluorophenyl)methyl]-N3-(2-methoxyphenyl)-2-(2-methylphenyl)-1,3-thiazolidine-3,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E012-0617
N4-[(4-fluorophenyl)methyl]-N3-(2-methoxyphenyl)-2-(2-methylphenyl)-1,3-thiazolidine-3,4-dicarboxamide

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

E012-0617

Molecular Formula

C26H26FN3O3S (C26 H26 FN3 O3 S)

Compound Name

N4-[(4-fluorophenyl)methyl]-N3-(2-methoxyphenyl)-2-(2-methylphenyl)-1,3-thiazolidine-3,4-dicarboxamide

IUPAC name

N4-[(4-fluorophenyl)methyl]-N3-(2-methoxyphenyl)-2-(2-methylphenyl)-13-thiazolidine-34-dicarboxamide

SMILES

Cc1c(C2SCC(C(NCc(cc3)ccc3F)=O)N2C(Nc(cccc2)c2OC)=O)cccc1

InChI

InChI=1S/C26H26FN3O3S/c1-17-7-3-4-8-20(17)25-30(26(32)29-21-9-5-6-10-23(21)33-2)22(16-34-25)24(31)28-15-18-11-13-19(27)14-12-18/h3-14,22,25H,15-16H2,1-2H3,(H,28,31)(H,29,32)

InChI Key

XXINXWGERODHKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.842

Distribution Coefficient, logD

4.842

Water Solubility, LogSw

-4.59

Polar Surface Area

56.191

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with E012-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E012-0617?
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What is the minimum amount of E012-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E012-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E012-0617
  • 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 E012-0617 available by request