F173-0422 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

F173-0422 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
F173-0422 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F173-0422
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

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

F173-0422

Molecular Formula

C15H14N4O3 (C15 H14 N4 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-36-dimethyl-[12]oxazolo[54-d]pyrimidin-4-amine

SMILES

Cc1noc2nc(C)nc(NCc(cc3)cc4c3OCO4)c12

InChI

InChI=1S/C15H14N4O3/c1-8-13-14(17-9(2)18-15(13)22-19-8)16-6-10-3-4-11-12(5-10)21-7-20-11/h3-5H,6-7H2,1-2H3,(H,16,17,18)

InChI Key

PYVCTQARACZLKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27106792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.260

Distribution Coefficient, logD

2.259

Water Solubility, LogSw

-2.78

Polar Surface Area

68.591

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

F173-0422 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with F173-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F173-0422?
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What is the minimum amount of F173-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F173-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F173-0422
  • 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 F173-0422 available by request