G420-0463 Screening compound: ethyl 2-(2-{[2-(naphthalen-1-yl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamido)benzoate

G420-0463 Screening compound: ethyl 2-(2-{[2-(naphthalen-1-yl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamido)benzoate
G420-0463 Screening compound: ethyl 2-(2-{[2-(naphthalen-1-yl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G420-0463
ethyl 2-(2-{[2-(naphthalen-1-yl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamido)benzoate

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

G420-0463

Molecular Formula

C27H22N4O3S (C27 H22 N4 O3 S)

Compound Name

ethyl 2-(2-{[2-(naphthalen-1-yl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[2-(naphthalen-1-yl)pyrazolo[15-a]pyrazin-4-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc(c1c2)nccn1nc2-c1cccc2ccccc12)=O)=O

InChI

InChI=1S/C27H22N4O3S/c1-2-34-27(33)21-11-5-6-13-22(21)29-25(32)17-35-26-24-16-23(30-31(24)15-14-28-26)20-12-7-9-18-8-3-4-10-19(18)20/h3-16H,2,17H2,1H3,(H,29,32)

InChI Key

UKCMEPAQNYXAGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18202035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

4.803

Water Solubility, LogSw

-5.04

Polar Surface Area

62.683

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G420-0463 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G420-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G420-0463?
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What is the minimum amount of G420-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G420-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G420-0463
  • 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 G420-0463 available by request