C795-0613 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~-(2,3-dimethylphenyl)acetamide

C795-0613 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~-(2,3-dimethylphenyl)acetamide
C795-0613 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~-(2,3-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0613
2-[3-chloro-6-oxo-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]-N~1~-(2,3-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

C795-0613

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~-(2,3-dimethylphenyl)acetamide

IUPAC name

n/a

SMILES

Cc1cccc(NC(CN2c3cc(Cl)cnc3N(CCC3)C3C2=O)=O)c1C

InChI

InChI=1S/C20H21ClN4O2/c1-12-5-3-6-15(13(12)2)23-18(26)11-25-17-9-14(21)10-22-19(17)24-8-4-7-16(24)20(25)27/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,23,26)/t16-/m1/s1

InChI Key

KEJXTFYUMWAUIG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14796988

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

3.251

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.39

Polar Surface Area

51.030

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C795-0613 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C795-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0613?
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What is the minimum amount of C795-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0613
  • 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 C795-0613 available by request