G420-0045 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({2-phenylpyrazolo[1,5-a]pyrazin-4-yl}sulfanyl)acetamide

G420-0045 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({2-phenylpyrazolo[1,5-a]pyrazin-4-yl}sulfanyl)acetamide
G420-0045 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({2-phenylpyrazolo[1,5-a]pyrazin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G420-0045
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({2-phenylpyrazolo[1,5-a]pyrazin-4-yl}sulfanyl)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

G420-0045

Molecular Formula

C22H18N4O3S (C22 H18 N4 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({2-phenylpyrazolo[1,5-a]pyrazin-4-yl}sulfanyl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-({2-phenylpyrazolo[15-a]pyrazin-4-yl}sulfanyl)acetamide

SMILES

O=C(CSc(c1c2)nccn1nc2-c1ccccc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C22H18N4O3S/c27-21(24-16-6-7-19-20(12-16)29-11-10-28-19)14-30-22-18-13-17(15-4-2-1-3-5-15)25-26(18)9-8-23-22/h1-9,12-13H,10-11,14H2,(H,24,27)

InChI Key

VLTYHAVMPFQAOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.710

Distribution Coefficient, logD

2.710

Water Solubility, LogSw

-3.26

Polar Surface Area

58.721

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G420-0045 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G420-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G420-0045?
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What is the minimum amount of G420-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G420-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G420-0045
  • 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 G420-0045 available by request