E002-0320 Screening compound: 3-(4-chlorophenyl)-N-cyclohexyl-4-(4-ethoxyphenyl)-5-oxothiomorpholine-3-carboxamide

E002-0320 Screening compound: 3-(4-chlorophenyl)-N-cyclohexyl-4-(4-ethoxyphenyl)-5-oxothiomorpholine-3-carboxamide
E002-0320 Screening compound: 3-(4-chlorophenyl)-N-cyclohexyl-4-(4-ethoxyphenyl)-5-oxothiomorpholine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0320
3-(4-chlorophenyl)-N-cyclohexyl-4-(4-ethoxyphenyl)-5-oxothiomorpholine-3-carboxamide

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

E002-0320

Molecular Formula

C25H29ClN2O3S (C25 H29 ClN2 O3 S)

Compound Name

3-(4-chlorophenyl)-N-cyclohexyl-4-(4-ethoxyphenyl)-5-oxothiomorpholine-3-carboxamide

IUPAC name

3-(4-chlorophenyl)-N-cyclohexyl-4-(4-ethoxyphenyl)-5-oxothiomorpholine-3-carboxamide

SMILES

CCOc(cc1)ccc1N(C(CSC1)(C(NC2CCCCC2)=O)c(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C25H29ClN2O3S/c1-2-31-22-14-12-21(13-15-22)28-23(29)16-32-17-25(28,18-8-10-19(26)11-9-18)24(30)27-20-6-4-3-5-7-20/h8-15,20H,2-7,16-17H2,1H3,(H,27,30)/t25-/m1/s1

InChI Key

BWKNKTIFEUEYOU-RUZDIDTESA-N

MDL Number (MFCD)

MFCD27597306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.700

Distribution Coefficient, logD

5.700

Water Solubility, LogSw

-5.90

Polar Surface Area

47.271

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E002-0320 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Targeted Diversity Library (40567 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E002-0320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0320?
Check Price and Availability of E002-0320, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E002-0320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0320
  • 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 E002-0320 available by request