G647-0601 Screening compound: 5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

G647-0601 Screening compound: 5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
G647-0601 Screening compound: 5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G647-0601
5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

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

G647-0601

Molecular Formula

C19H15N7OS2 (C19 H15 N7 OS2)

Compound Name

5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

5-({[4-methyl-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-2-phenyl-3H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

Cn1c(SCC(N=C2N3N=C(c4ccccc4)N2)=CC3=O)nnc1-c1cccs1

InChI

InChI=1S/C19H15N7OS2/c1-25-17(14-8-5-9-28-14)22-23-19(25)29-11-13-10-15(27)26-18(20-13)21-16(24-26)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,20,21,24)

InChI Key

VDVXPHQFFYBSQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.705

Distribution Coefficient, logD

2.705

Water Solubility, LogSw

-3.21

Polar Surface Area

78.027

Acid Dissociation Constant (pKa)

5.14

Base Dissociation Constant (pKb)

-7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G647-0601 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G647-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G647-0601?
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What is the minimum amount of G647-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G647-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G647-0601
  • 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 G647-0601 available by request