C248-0147 Screening compound: N-[7-methyl-2,4-dioxo-3-(prop-2-en-1-yl)-1H,2H,3H,4H-benzo[g]pteridin-8-yl]propanamide

C248-0147 Screening compound: N-[7-methyl-2,4-dioxo-3-(prop-2-en-1-yl)-1H,2H,3H,4H-benzo[g]pteridin-8-yl]propanamide
C248-0147 Screening compound: N-[7-methyl-2,4-dioxo-3-(prop-2-en-1-yl)-1H,2H,3H,4H-benzo[g]pteridin-8-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0147
N-[7-methyl-2,4-dioxo-3-(prop-2-en-1-yl)-1H,2H,3H,4H-benzo[g]pteridin-8-yl]propanamide

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

C248-0147

Molecular Formula

C17H17N5O3 (C17 H17 N5 O3)

Compound Name

N-[7-methyl-2,4-dioxo-3-(prop-2-en-1-yl)-1H,2H,3H,4H-benzo[g]pteridin-8-yl]propanamide

IUPAC name

N-[7-methyl-24-dioxo-3-(prop-2-en-1-yl)-1H2H3H4H-benzo[g]pteridin-8-yl]propanamide

SMILES

CCC(Nc(cc1nc2NC(N3CC=C)=O)c(C)cc1nc2C3=O)=O

InChI

InChI=1S/C17H17N5O3/c1-4-6-22-16(24)14-15(21-17(22)25)20-12-8-10(18-13(23)5-2)9(3)7-11(12)19-14/h4,7-8H,1,5-6H2,2-3H3,(H,18,23)(H,20,21,25)

InChI Key

ANEGAQKIGPRAMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.592

Distribution Coefficient, logD

1.569

Water Solubility, LogSw

-2.27

Polar Surface Area

81.552

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C248-0147 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C248-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0147?
Check Price and Availability of C248-0147, 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 C248-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0147
  • 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 C248-0147 available by request