C248-0360 Screening compound: N-{4-oxo-2-sulfanylidene-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide

C248-0360 Screening compound: N-{4-oxo-2-sulfanylidene-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide
C248-0360 Screening compound: N-{4-oxo-2-sulfanylidene-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C248-0360
N-{4-oxo-2-sulfanylidene-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

C248-0360

Molecular Formula

C17H19N5O2S (C17 H19 N5 O2 S)

Compound Name

N-{4-oxo-2-sulfanylidene-1H,2H,3H,4H-benzo[g]pteridin-8-yl}heptanamide

IUPAC name

N-{4-oxo-2-sulfanylidene-1H2H3H4H-benzo[g]pteridin-8-yl}heptanamide

SMILES

CCCCCCC(Nc(cc1nc2NC(N3)=S)ccc1nc2C3=O)=O

InChI

InChI=1S/C17H19N5O2S/c1-2-3-4-5-6-13(23)18-10-7-8-11-12(9-10)20-15-14(19-11)16(24)22-17(25)21-15/h7-9H,2-6H2,1H3,(H,18,23)(H2,20,21,22,24,25)

InChI Key

MJEJTDNIVQYLQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.74

Polar Surface Area

77.623

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C248-0360 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C248-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C248-0360?
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What is the minimum amount of C248-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C248-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C248-0360
  • 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 C248-0360 available by request