E006-0297 Screening compound: 4-(3-chlorophenyl)-N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)tetrahydro-1(2H)-pyrazinecarboxamide

E006-0297 Screening compound: 4-(3-chlorophenyl)-N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)tetrahydro-1(2H)-pyrazinecarboxamide
E006-0297 Screening compound: 4-(3-chlorophenyl)-N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E006-0297
4-(3-chlorophenyl)-N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)tetrahydro-1(2H)-pyrazinecarboxamide

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

E006-0297

Molecular Formula

C26H25ClN4O2S (C26 H25 ClN4 O2 S)

Compound Name

4-(3-chlorophenyl)-N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-(3-chlorophenyl)-N-{9-ethyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-6-yl}piperazine-1-carboxamide

SMILES

CCN(c(cc(cc1)NC(N(CC2)CCN2c2cccc(Cl)c2)=O)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C26H25ClN4O2S/c1-2-31-22-17-19(10-11-24(22)34-23-9-4-3-8-21(23)25(31)32)28-26(33)30-14-12-29(13-15-30)20-7-5-6-18(27)16-20/h3-11,16-17H,2,12-15H2,1H3,(H,28,33)

InChI Key

NNJOYIJDRBOICK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.596

Distribution Coefficient, logD

5.596

Water Solubility, LogSw

-5.66

Polar Surface Area

44.126

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

E006-0297 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E006-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E006-0297?
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What is the minimum amount of E006-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E006-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E006-0297
  • 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 E006-0297 available by request