G754-0456 Screening compound: 8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-6-one

G754-0456 Screening compound: 8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-6-one
G754-0456 Screening compound: 8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G754-0456
8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-6-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

G754-0456

Molecular Formula

C21H20ClN5O3S (C21 H20 ClN5 O3 S)

Compound Name

8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-6-one

IUPAC name

8-({[2-(2-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-9-[(oxolan-2-yl)methyl]-69-dihydro-1H-purin-6-one

SMILES

Cc1c(CSc(n2CC3OCCC3)nc3c2N=CNC3=O)nc(-c(cccc2)c2Cl)o1

InChI

InChI=1S/C21H20ClN5O3S/c1-12-16(25-20(30-12)14-6-2-3-7-15(14)22)10-31-21-26-17-18(23-11-24-19(17)28)27(21)9-13-5-4-8-29-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,23,24,28)/t13-/m1/s1

InChI Key

HUTZMTVZIYWLOY-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27155771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.953

Distribution Coefficient, logD

2.952

Water Solubility, LogSw

-3.67

Polar Surface Area

74.207

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G754-0456 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G754-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G754-0456?
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What is the minimum amount of G754-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G754-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G754-0456
  • 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 G754-0456 available by request