F081-1394 Screening compound: 2-[8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-methylphenyl)acetamide

F081-1394 Screening compound: 2-[8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-methylphenyl)acetamide
F081-1394 Screening compound: 2-[8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-1394
2-[8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-methylphenyl)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

F081-1394

Molecular Formula

C23H22N4O4 (C23 H22 N4 O4)

Compound Name

2-[8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(3-methylphenyl)acetamide

IUPAC name

2-{55-dimethyl-15-oxo-617-dioxa-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)12-pentaen-14-yl}-N-(3-methylphenyl)acetamide

SMILES

CC(C)(Cc1n2)OCc1cc1c2oc2c1N=CN(CC(Nc1cc(C)ccc1)=O)C2=O

InChI

InChI=1S/C23H22N4O4/c1-13-5-4-6-15(7-13)25-18(28)10-27-12-24-19-16-8-14-11-30-23(2,3)9-17(14)26-21(16)31-20(19)22(27)29/h4-8,12H,9-11H2,1-3H3,(H,25,28)

InChI Key

IDRWIFPRRLSRHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06594139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.124

Distribution Coefficient, logD

3.124

Water Solubility, LogSw

-3.02

Polar Surface Area

73.291

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

F081-1394 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F081-1394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1394?
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What is the minimum amount of F081-1394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1394
  • 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 F081-1394 available by request