C248-0318 Screening compound: N-{3-benzyl-7-methyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}-2,2,2-trifluoroacetamide

C248-0318 Screening compound: N-{3-benzyl-7-methyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}-2,2,2-trifluoroacetamide
C248-0318 Screening compound: N-{3-benzyl-7-methyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0318
N-{3-benzyl-7-methyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}-2,2,2-trifluoroacetamide

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

C248-0318

Molecular Formula

C20H14F3N5O3 (C20 H14 F3 N5 O3)

Compound Name

N-{3-benzyl-7-methyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}-2,2,2-trifluoroacetamide

IUPAC name

N-{3-benzyl-7-methyl-24-dioxo-1H2H3H4H-benzo[g]pteridin-8-yl}-222-trifluoroacetamide

SMILES

Cc1cc2nc(C(N(Cc3ccccc3)C(N3)=O)=O)c3nc2cc1NC(C(F)(F)F)=O

InChI

InChI=1S/C20H14F3N5O3/c1-10-7-13-14(8-12(10)26-18(30)20(21,22)23)25-16-15(24-13)17(29)28(19(31)27-16)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,26,30)(H,25,27,31)

InChI Key

QJJKBIHZKXYEMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05703547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.36

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

3.289

Distribution Coefficient, logD

2.215

Water Solubility, LogSw

-3.49

Polar Surface Area

81.515

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C248-0318 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C248-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0318?
Check Price and Availability of C248-0318, 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 C248-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0318
  • 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 C248-0318 available by request