C248-0079 Screening compound: 2,2,2-trifluoro-N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}acetamide

C248-0079 Screening compound: 2,2,2-trifluoro-N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}acetamide
C248-0079 Screening compound: 2,2,2-trifluoro-N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0079
2,2,2-trifluoro-N-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-8-yl}acetamide

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

C248-0079

Molecular Formula

C15H12F3N5O3 (C15 H12 F3 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc2nc(C(N(C)C(N3C)=O)=O)c3nc2cc1NC(C(F)(F)F)=O

InChI

InChI=1S/C15H12F3N5O3/c1-6-4-8-9(5-7(6)21-13(25)15(16,17)18)20-11-10(19-8)12(24)23(3)14(26)22(11)2/h4-5H,1-3H3,(H,21,25)

InChI Key

FRNXXPDHGVHHHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.29

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

2.179

Distribution Coefficient, logD

1.104

Water Solubility, LogSw

-2.74

Polar Surface Area

73.083

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C248-0079 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C248-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0079?
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What is the minimum amount of C248-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0079
  • 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 C248-0079 available by request