4155-1222 Screening compound: 5-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazin-1-ylidene]-1,3-diazinane-2,4,6-trione

4155-1222 Screening compound: 5-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazin-1-ylidene]-1,3-diazinane-2,4,6-trione
4155-1222 Screening compound: 5-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazin-1-ylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4155-1222
5-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazin-1-ylidene]-1,3-diazinane-2,4,6-trione

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

4155-1222

Molecular Formula

C11H10N8O5 (C11 H10 N8 O5)

Compound Name

5-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazin-1-ylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

5-[2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)hydrazin-1-ylidene]-13-diazinane-246-trione

SMILES

CN(c1c(C(N2C)=O)[nH]c(NN=C(C(NC(N3)=O)=O)C3=O)n1)C2=O

InChI

InChI=1S/C11H10N8O5/c1-18-5-3(8(22)19(2)11(18)24)12-9(13-5)17-16-4-6(20)14-10(23)15-7(4)21/h1-2H3,(H2,12,13,17)(H2,14,15,20,21,23)

InChI Key

KEGNLLSQVSZGMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01435732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.25

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

-0.992

Distribution Coefficient, logD

-1.316

Water Solubility, LogSw

-1.33

Polar Surface Area

136.589

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

4155-1222 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4155-1222 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4155-1222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4155-1222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4155-1222
  • 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 4155-1222 available by request