C248-0200 Screening compound: 5-[({3-hexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}amino)methylidene]-1,3-diazinane-2,4,6-trione

C248-0200 Screening compound: 5-[({3-hexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}amino)methylidene]-1,3-diazinane-2,4,6-trione
C248-0200 Screening compound: 5-[({3-hexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}amino)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0200
5-[({3-hexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}amino)methylidene]-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

C248-0200

Molecular Formula

C21H21N7O5 (C21 H21 N7 O5)

Compound Name

5-[({3-hexyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}amino)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

5-[({3-hexyl-24-dioxo-1H2H3H4H-benzo[g]pteridin-8-yl}amino)methylidene]-13-diazinane-246-trione

SMILES

CCCCCCN(C(c(c(N1)nc2c3)nc2ccc3NC=C(C(NC(N2)=O)=O)C2=O)=O)C1=O

InChI

InChI=1S/C21H21N7O5/c1-2-3-4-5-8-28-19(31)15-16(25-21(28)33)24-14-9-11(6-7-13(14)23-15)22-10-12-17(29)26-20(32)27-18(12)30/h6-7,9-10,22H,2-5,8H2,1H3,(H,24,25,33)(H2,26,27,29,30,32)

InChI Key

AJZLIOZCGJIIJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.290

Distribution Coefficient, logD

1.839

Water Solubility, LogSw

-3.04

Polar Surface Area

133.106

Acid Dissociation Constant (pKa)

6.71

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C248-0200 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cardiovascular
  • Metabolic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C248-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0200?
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What is the minimum amount of C248-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0200
  • 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 C248-0200 available by request