G754-0525 Screening compound: N-(4-bromophenyl)-2-({6-oxo-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-8-yl}sulfanyl)acetamide

G754-0525 Screening compound: N-(4-bromophenyl)-2-({6-oxo-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-8-yl}sulfanyl)acetamide
G754-0525 Screening compound: N-(4-bromophenyl)-2-({6-oxo-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-8-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G754-0525
N-(4-bromophenyl)-2-({6-oxo-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-8-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

G754-0525

Molecular Formula

C18H18BrN5O3S (C18 H18 BrN5 O3 S)

Compound Name

N-(4-bromophenyl)-2-({6-oxo-9-[(oxolan-2-yl)methyl]-6,9-dihydro-1H-purin-8-yl}sulfanyl)acetamide

IUPAC name

N-(4-bromophenyl)-2-({6-oxo-9-[(oxolan-2-yl)methyl]-69-dihydro-1H-purin-8-yl}sulfanyl)acetamide

SMILES

O=C(CSc(n1CC2OCCC2)nc2c1N=CNC2=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C18H18BrN5O3S/c19-11-3-5-12(6-4-11)22-14(25)9-28-18-23-15-16(20-10-21-17(15)26)24(18)8-13-2-1-7-27-13/h3-6,10,13H,1-2,7-9H2,(H,22,25)(H,20,21,26)/t13-/m1/s1

InChI Key

AUTTUIGNXVCYFI-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27155778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.146

Distribution Coefficient, logD

2.146

Water Solubility, LogSw

-2.71

Polar Surface Area

79.234

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G754-0525 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 G754-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G754-0525?
Check Price and Availability of G754-0525, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G754-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G754-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G754-0525
  • 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 G754-0525 available by request