G754-0149 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide

G754-0149 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
G754-0149 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G754-0149
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(6-oxo-9-phenyl-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

G754-0149

Molecular Formula

C21H23N5O2S (C21 H23 N5 O2 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(6-oxo-9-phenyl-69-dihydro-1H-purin-8-yl)sulfanyl]acetamide

SMILES

O=C(CSc(n1-c2ccccc2)nc2c1N=CNC2=O)NCCC1=CCCCC1

InChI

InChI=1S/C21H23N5O2S/c27-17(22-12-11-15-7-3-1-4-8-15)13-29-21-25-18-19(23-14-24-20(18)28)26(21)16-9-5-2-6-10-16/h2,5-7,9-10,14H,1,3-4,8,11-13H2,(H,22,27)(H,23,24,28)

InChI Key

LDTRAGIBMUHBSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.231

Distribution Coefficient, logD

2.230

Water Solubility, LogSw

-2.52

Polar Surface Area

72.679

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G754-0149 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G754-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G754-0149?
Check Price and Availability of G754-0149, 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 G754-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G754-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G754-0149
  • 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 G754-0149 available by request