G788-0028 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-N-[(pyridin-2-yl)methyl]acetamide

G788-0028 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-N-[(pyridin-2-yl)methyl]acetamide
G788-0028 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-N-[(pyridin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G788-0028
2-{[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-N-[(pyridin-2-yl)methyl]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

G788-0028

Molecular Formula

C23H23N5O3S (C23 H23 N5 O3 S)

Compound Name

2-{[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-N-[(pyridin-2-yl)methyl]acetamide

IUPAC name

2-{[3-(34-dimethoxyphenyl)-5-methylpyrazolo[15-a]pyrimidin-7-yl]sulfanyl}-N-[(pyridin-2-yl)methyl]acetamide

SMILES

Cc(cc(n1nc2)SCC(NCc3ncccc3)=O)nc1c2-c(cc1)cc(OC)c1OC

InChI

InChI=1S/C23H23N5O3S/c1-15-10-22(32-14-21(29)25-12-17-6-4-5-9-24-17)28-23(27-15)18(13-26-28)16-7-8-19(30-2)20(11-16)31-3/h4-11,13H,12,14H2,1-3H3,(H,25,29)

InChI Key

IHGGFKNTIIJSMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27157848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.708

Distribution Coefficient, logD

2.702

Water Solubility, LogSw

-3.14

Polar Surface Area

69.199

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G788-0028 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G788-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G788-0028?
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What is the minimum amount of G788-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G788-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G788-0028
  • 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 G788-0028 available by request