C795-0758 Screening compound: 7-benzyl-6-methyl-N~6~-(4-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

C795-0758 Screening compound: 7-benzyl-6-methyl-N~6~-(4-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
C795-0758 Screening compound: 7-benzyl-6-methyl-N~6~-(4-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0758
7-benzyl-6-methyl-N~6~-(4-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrofuro[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

C795-0758

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

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

IUPAC name

10-benzyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(CC1)CCC1NC(C(C)(Cn1c2cc3c1cco3)N(Cc1ccccc1)C2=O)=O

InChI

InChI=1S/C25H29N3O3/c1-17-8-10-19(11-9-17)26-24(30)25(2)16-27-20-12-13-31-22(20)14-21(27)23(29)28(25)15-18-6-4-3-5-7-18/h3-7,12-14,17,19H,8-11,15-16H2,1-2H3,(H,26,30)/t17?,19?,25-/m0/s1

InChI Key

WUUVLTKENCKRPM-HGEUABKPSA-N

MDL Number (MFCD)

MFCD14797060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

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

5.178

Distribution Coefficient, logD

5.178

Water Solubility, LogSw

-5.01

Polar Surface Area

49.209

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C795-0758 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 C795-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0758?
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What is the minimum amount of C795-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0758
  • 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 C795-0758 available by request