G856-8504 Screening compound: 1,3,9-trimethyl-8-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-2,3,6,9-tetrahydro-1H-purine-2,6-dione

G856-8504 Screening compound: 1,3,9-trimethyl-8-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-2,3,6,9-tetrahydro-1H-purine-2,6-dione
G856-8504 Screening compound: 1,3,9-trimethyl-8-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-2,3,6,9-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8504
1,3,9-trimethyl-8-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-2,3,6,9-tetrahydro-1H-purine-2,6-dione

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

G856-8504

Molecular Formula

C16H15N5O5S (C16 H15 N5 O5 S)

Compound Name

1,3,9-trimethyl-8-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-2,3,6,9-tetrahydro-1H-purine-2,6-dione

IUPAC name

139-trimethyl-8-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-2369-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(SCC(c2cc([N+]([O-])=O)ccc2)=O)nc(C(N2C)=O)c1N(C)C2=O

InChI

InChI=1S/C16H15N5O5S/c1-18-13-12(14(23)20(3)16(24)19(13)2)17-15(18)27-8-11(22)9-5-4-6-10(7-9)21(25)26/h4-7H,8H2,1-3H3

InChI Key

QWDVHFSTBXTIPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07739162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.391

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-2.72

Polar Surface Area

90.668

Acid Dissociation Constant (pKa)

17.40

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with G856-8504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8504?
Check Price and Availability of G856-8504, 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 G856-8504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8504
  • 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 G856-8504 available by request