C794-0373 Screening compound: N~6~-cycloheptyl-2-ethyl-7-(3-methoxybenzyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

C794-0373 Screening compound: N~6~-cycloheptyl-2-ethyl-7-(3-methoxybenzyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
C794-0373 Screening compound: N~6~-cycloheptyl-2-ethyl-7-(3-methoxybenzyl)-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 C794-0373
N~6~-cycloheptyl-2-ethyl-7-(3-methoxybenzyl)-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

C794-0373

Molecular Formula

C28H35N3O3S (C28 H35 N3 O3 S)

Compound Name

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

IUPAC name

N-cycloheptyl-4-ethyl-10-[(3-methoxyphenyl)methyl]-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(Cc2cc(OC)ccc2)C2=O)c2c2)c2s1

InChI

InChI=1S/C28H35N3O3S/c1-4-22-15-23-25(35-22)16-24-26(32)31(17-19-10-9-13-21(14-19)34-3)28(2,18-30(23)24)27(33)29-20-11-7-5-6-8-12-20/h9-10,13-16,20H,4-8,11-12,17-18H2,1-3H3,(H,29,33)/t28-/m0/s1

InChI Key

KXSNWZCFRFBEAG-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14796198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.457

Distribution Coefficient, logD

6.457

Water Solubility, LogSw

-5.49

Polar Surface Area

49.630

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C794-0373 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C794-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0373?
Check Price and Availability of C794-0373, 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 C794-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0373
  • 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 C794-0373 available by request