G117-0491 Screening compound: N~1~-(2-furylmethyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)acetamide

G117-0491 Screening compound: N~1~-(2-furylmethyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)acetamide
G117-0491 Screening compound: N~1~-(2-furylmethyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G117-0491
N~1~-(2-furylmethyl)-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

G117-0491

Molecular Formula

C17H14N4O2S (C17 H14 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc2ncccc2n2c1ccc2)NCc1ccco1

InChI

InChI=1S/C17H14N4O2S/c22-15(19-10-12-4-3-9-23-12)11-24-17-14-6-2-8-21(14)13-5-1-7-18-16(13)20-17/h1-9H,10-11H2,(H,19,22)

InChI Key

MLXSAVQZNSJFLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14981011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.782

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-3.05

Polar Surface Area

50.227

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G117-0491 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G117-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G117-0491?
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What is the minimum amount of G117-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G117-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G117-0491
  • 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 G117-0491 available by request