C201-1322 Screening compound: 3-(3-methoxybenzyl)-2,4(1H,3H)-pteridinedione

C201-1322 Screening compound: 3-(3-methoxybenzyl)-2,4(1H,3H)-pteridinedione
C201-1322 Screening compound: 3-(3-methoxybenzyl)-2,4(1H,3H)-pteridinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1322
3-(3-methoxybenzyl)-2,4(1H,3H)-pteridinedione

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

C201-1322

Molecular Formula

C14H12N4O3 (C14 H12 N4 O3)

Compound Name

3-(3-methoxybenzyl)-2,4(1H,3H)-pteridinedione

IUPAC name

n/a

SMILES

COc1cccc(CN(C(c2c(N3)nccn2)=O)C3=O)c1

InChI

InChI=1S/C14H12N4O3/c1-21-10-4-2-3-9(7-10)8-18-13(19)11-12(17-14(18)20)16-6-5-15-11/h2-7H,8H2,1H3,(H,16,17,20)

InChI Key

YIWOHURIQZTIKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.495

Distribution Coefficient, logD

1.466

Water Solubility, LogSw

-2.05

Polar Surface Area

67.557

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C201-1322 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Fragments Library (11262 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C201-1322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1322?
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What is the minimum amount of C201-1322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1322
  • 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 C201-1322 available by request