C795-0925 Screening compound: N~6~-benzyl-7-(4-chlorobenzyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

C795-0925 Screening compound: N~6~-benzyl-7-(4-chlorobenzyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
C795-0925 Screening compound: N~6~-benzyl-7-(4-chlorobenzyl)-6-methyl-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 C795-0925
N~6~-benzyl-7-(4-chlorobenzyl)-6-methyl-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

C795-0925

Molecular Formula

C25H22ClN3O3 (C25 H22 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(Cn1c2cc3c1cco3)(C(NCc1ccccc1)=O)N(Cc(cc1)ccc1Cl)C2=O

InChI

InChI=1S/C25H22ClN3O3/c1-25(24(31)27-14-17-5-3-2-4-6-17)16-28-20-11-12-32-22(20)13-21(28)23(30)29(25)15-18-7-9-19(26)10-8-18/h2-13H,14-16H2,1H3,(H,27,31)/t25-/m0/s1

InChI Key

FHQMKNYBJVUWCC-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14797137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.73

Polar Surface Area

49.484

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C795-0925 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)

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 C795-0925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0925?
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What is the minimum amount of C795-0925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0925
  • 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 C795-0925 available by request