C248-0074 Screening compound: N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}benzamide

C248-0074 Screening compound: N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}benzamide
C248-0074 Screening compound: N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0074
N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}benzamide

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

C248-0074

Molecular Formula

C20H17N5O3 (C20 H17 N5 O3)

Compound Name

N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}benzamide

IUPAC name

N-{137-trimethyl-24-dioxo-1H2H3H4H-benzo[g]pteridin-8-yl}benzamide

SMILES

Cc(cc(c(nc1N(C)C(N2C)=O)c3)nc1C2=O)c3NC(c1ccccc1)=O

InChI

InChI=1S/C20H17N5O3/c1-11-9-14-15(10-13(11)23-18(26)12-7-5-4-6-8-12)22-17-16(21-14)19(27)25(3)20(28)24(17)2/h4-10H,1-3H3,(H,23,26)

InChI Key

OKWTWJDJXMDQIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.812

Distribution Coefficient, logD

2.795

Water Solubility, LogSw

-3.37

Polar Surface Area

72.812

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C248-0074 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C248-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0074?
Check Price and Availability of C248-0074, 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 C248-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0074
  • 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 C248-0074 available by request