C795-0614 Screening compound: 2-[3-chloro-6-oxo-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]-N~1~-(3,5-dimethylphenyl)acetamide

C795-0614 Screening compound: 2-[3-chloro-6-oxo-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]-N~1~-(3,5-dimethylphenyl)acetamide
C795-0614 Screening compound: 2-[3-chloro-6-oxo-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]-N~1~-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0614
2-[3-chloro-6-oxo-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]-N~1~-(3,5-dimethylphenyl)acetamide

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

C795-0614

Molecular Formula

C20H21ClN4O2 (C20 H21 ClN4 O2)

Compound Name

2-[3-chloro-6-oxo-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]-N~1~-(3,5-dimethylphenyl)acetamide

IUPAC name

2-{11-chloro-7-oxo-2813-triazatricyclo[7.4.0.0^{26}]trideca-1(9)1012-trien-8-yl}-N-(35-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CN2c3cc(Cl)cnc3N(CCC3)C3C2=O)=O)cc(C)c1

InChI

InChI=1S/C20H21ClN4O2/c1-12-6-13(2)8-15(7-12)23-18(26)11-25-17-9-14(21)10-22-19(17)24-5-3-4-16(24)20(25)27/h6-10,16H,3-5,11H2,1-2H3,(H,23,26)/t16-/m1/s1

InChI Key

IQRFIADJVJGYGX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14796989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.313

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-3.58

Polar Surface Area

51.728

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C795-0614 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C795-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0614?
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What is the minimum amount of C795-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0614
  • 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 C795-0614 available by request