C791-0697 Screening compound: N~6~-cyclohexyl-6-methyl-8-oxo-7-(3,4,5-triethoxybenzyl)-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

C791-0697 Screening compound: N~6~-cyclohexyl-6-methyl-8-oxo-7-(3,4,5-triethoxybenzyl)-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
C791-0697 Screening compound: N~6~-cyclohexyl-6-methyl-8-oxo-7-(3,4,5-triethoxybenzyl)-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 C791-0697
N~6~-cyclohexyl-6-methyl-8-oxo-7-(3,4,5-triethoxybenzyl)-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

C791-0697

Molecular Formula

C30H39N3O5S (C30 H39 N3 O5 S)

Compound Name

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

IUPAC name

N-cyclohexyl-11-methyl-9-oxo-10-[(345-triethoxyphenyl)methyl]-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CCOc1cc(CN(C(C)(Cn2c3cc4c2ccs4)C(NC2CCCCC2)=O)C3=O)cc(OCC)c1OCC

InChI

InChI=1S/C30H39N3O5S/c1-5-36-24-15-20(16-25(37-6-2)27(24)38-7-3)18-33-28(34)23-17-26-22(13-14-39-26)32(23)19-30(33,4)29(35)31-21-11-9-8-10-12-21/h13-17,21H,5-12,18-19H2,1-4H3,(H,31,35)/t30-/m0/s1

InChI Key

LFDTVOXVGDJWPH-PMERELPUSA-N

MDL Number (MFCD)

MFCD14795848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.614

Distribution Coefficient, logD

5.614

Water Solubility, LogSw

-5.21

Polar Surface Area

63.473

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

C791-0697 in Drug Discovery

Included in Screening Libraries

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 C791-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0697?
Check Price and Availability of C791-0697, 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 C791-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0697
  • 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 C791-0697 available by request