G117-0494 Screening compound: N~1~-(4-chlorobenzyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)acetamide

G117-0494 Screening compound: N~1~-(4-chlorobenzyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)acetamide
G117-0494 Screening compound: N~1~-(4-chlorobenzyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G117-0494
N~1~-(4-chlorobenzyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)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

G117-0494

Molecular Formula

C19H15ClN4OS (C19 H15 ClN4 OS)

Compound Name

N~1~-(4-chlorobenzyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)acetamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-{2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)357911-hexaen-7-ylsulfanyl}acetamide

SMILES

O=C(CSc1nc2ncccc2n2c1ccc2)NCc(cc1)ccc1Cl

InChI

InChI=1S/C19H15ClN4OS/c20-14-7-5-13(6-8-14)11-22-17(25)12-26-19-16-4-2-10-24(16)15-3-1-9-21-18(15)23-19/h1-10H,11-12H2,(H,22,25)

InChI Key

BZJCWEKIQRHUQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14981014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.88

Polar Surface Area

42.478

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G117-0494 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G117-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G117-0494?
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What is the minimum amount of G117-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G117-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G117-0494
  • 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 G117-0494 available by request