G754-0393 Screening compound: 8-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-9-(4-methylphenyl)-6,9-dihydro-1H-purin-6-one

G754-0393 Screening compound: 8-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-9-(4-methylphenyl)-6,9-dihydro-1H-purin-6-one
G754-0393 Screening compound: 8-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-9-(4-methylphenyl)-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G754-0393
8-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-9-(4-methylphenyl)-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

G754-0393

Molecular Formula

C21H15ClN6O2S (C21 H15 ClN6 O2 S)

Compound Name

8-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-9-(4-methylphenyl)-6,9-dihydro-1H-purin-6-one

IUPAC name

8-[({7-chloro-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-9-(4-methylphenyl)-69-dihydro-1H-purin-6-one

SMILES

Cc(cc1)ccc1-n1c(SCC(N=C(C=C2)N3C=C2Cl)=CC3=O)nc2c1N=CNC2=O

InChI

InChI=1S/C21H15ClN6O2S/c1-12-2-5-15(6-3-12)28-19-18(20(30)24-11-23-19)26-21(28)31-10-14-8-17(29)27-9-13(22)4-7-16(27)25-14/h2-9,11H,10H2,1H3,(H,23,24,30)

InChI Key

VMQPGXPKNMZYIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.241

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-3.31

Polar Surface Area

74.679

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G754-0393 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G754-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G754-0393?
Check Price and Availability of G754-0393, 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 G754-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G754-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G754-0393
  • 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 G754-0393 available by request