C794-0374 Screening compound: N~6~,7-dicycloheptyl-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

C794-0374 Screening compound: N~6~,7-dicycloheptyl-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
C794-0374 Screening compound: N~6~,7-dicycloheptyl-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0374
N~6~,7-dicycloheptyl-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-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

C794-0374

Molecular Formula

C27H39N3O2S (C27 H39 N3 O2 S)

Compound Name

N~6~,7-dicycloheptyl-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

IUPAC name

N10-dicycloheptyl-4-ethyl-11-methyl-9-oxo-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CCc1cc(n(CC(C)(C(NC2CCCCCC2)=O)N(C2CCCCCC2)C2=O)c2c2)c2s1

InChI

InChI=1S/C27H39N3O2S/c1-3-21-16-22-24(33-21)17-23-25(31)30(20-14-10-6-7-11-15-20)27(2,18-29(22)23)26(32)28-19-12-8-4-5-9-13-19/h16-17,19-20H,3-15,18H2,1-2H3,(H,28,32)/t27-/m0/s1

InChI Key

MPQMCXAJROXODA-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14796199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.902

Distribution Coefficient, logD

6.902

Water Solubility, LogSw

-5.48

Polar Surface Area

41.639

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.40

C794-0374 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with C794-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0374?
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What is the minimum amount of C794-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0374
  • 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 C794-0374 available by request