E012-0616 Screening compound: N3-(2-methoxyphenyl)-N4-[(3-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidine-3,4-dicarboxamide

E012-0616 Screening compound: N3-(2-methoxyphenyl)-N4-[(3-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidine-3,4-dicarboxamide
E012-0616 Screening compound: N3-(2-methoxyphenyl)-N4-[(3-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidine-3,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E012-0616
N3-(2-methoxyphenyl)-N4-[(3-methoxyphenyl)methyl]-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

E012-0616

Molecular Formula

C27H29N3O4S (C27 H29 N3 O4 S)

Compound Name

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

IUPAC name

N3-(2-methoxyphenyl)-N4-[(3-methoxyphenyl)methyl]-2-(2-methylphenyl)-13-thiazolidine-34-dicarboxamide

SMILES

Cc1c(C2SCC(C(NCc3cc(OC)ccc3)=O)N2C(Nc(cccc2)c2OC)=O)cccc1

InChI

InChI=1S/C27H29N3O4S/c1-18-9-4-5-12-21(18)26-30(27(32)29-22-13-6-7-14-24(22)34-3)23(17-35-26)25(31)28-16-19-10-8-11-20(15-19)33-2/h4-15,23,26H,16-17H2,1-3H3,(H,28,31)(H,29,32)

InChI Key

NXXFAMNHTBVJMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.910

Distribution Coefficient, logD

4.910

Water Solubility, LogSw

-4.65

Polar Surface Area

63.735

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

E012-0616 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E012-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E012-0616?
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What is the minimum amount of E012-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E012-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E012-0616
  • 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 E012-0616 available by request