C248-0313 Screening compound: 8-amino-3-benzyl-7-methyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione

C248-0313 Screening compound: 8-amino-3-benzyl-7-methyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione
C248-0313 Screening compound: 8-amino-3-benzyl-7-methyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0313
8-amino-3-benzyl-7-methyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-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

C248-0313

Molecular Formula

C18H15N5O2 (C18 H15 N5 O2)

Compound Name

8-amino-3-benzyl-7-methyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione

IUPAC name

8-amino-3-benzyl-7-methyl-1H2H3H4H-benzo[g]pteridine-24-dione

SMILES

Cc(cc(c(nc1NC(N2Cc3ccccc3)=O)c3)nc1C2=O)c3N

InChI

InChI=1S/C18H15N5O2/c1-10-7-13-14(8-12(10)19)21-16-15(20-13)17(24)23(18(25)22-16)9-11-5-3-2-4-6-11/h2-8H,9,19H2,1H3,(H,21,22,25)

InChI Key

BOJTYVQFSDEEIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01551263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.513

Distribution Coefficient, logD

2.499

Water Solubility, LogSw

-2.92

Polar Surface Area

78.946

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C248-0313 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

C-Met Library (15277 compounds)

Human Kinases Annotated Library (2415 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C248-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0313?
Check Price and Availability of C248-0313, 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 C248-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0313
  • 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 C248-0313 available by request