C248-0072 Screening compound: N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide

C248-0072 Screening compound: N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide
C248-0072 Screening compound: N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0072
N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide

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

C248-0072

Molecular Formula

C20H25N5O3 (C20 H25 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCC(Nc(cc1nc2N(C)C(N3C)=O)c(C)cc1nc2C3=O)=O

InChI

InChI=1S/C20H25N5O3/c1-5-6-7-8-9-16(26)21-13-11-15-14(10-12(13)2)22-17-18(23-15)24(3)20(28)25(4)19(17)27/h10-11H,5-9H2,1-4H3,(H,21,26)

InChI Key

ZDIRWFXPJIHHHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.50

Polar Surface Area

72.870

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C248-0072 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C248-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0072?
Check Price and Availability of C248-0072, 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 C248-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0072
  • 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 C248-0072 available by request