F081-1338 Screening compound: N~1~-(4-chlorophenyl)-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]acetamide

F081-1338 Screening compound: N~1~-(4-chlorophenyl)-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]acetamide
F081-1338 Screening compound: N~1~-(4-chlorophenyl)-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]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-1338
N~1~-(4-chlorophenyl)-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]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

F081-1338

Molecular Formula

C22H19ClN4O4 (C22 H19 ClN4 O4)

Compound Name

N~1~-(4-chlorophenyl)-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]acetamide

IUPAC name

N-(4-chlorophenyl)-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}acetamide

SMILES

CC(C)(Cc1n2)OCc1cc1c2oc2c1N=CN(CC(Nc(cc1)ccc1Cl)=O)C2=O

InChI

InChI=1S/C22H19ClN4O4/c1-22(2)8-16-12(10-30-22)7-15-18-19(31-20(15)26-16)21(29)27(11-24-18)9-17(28)25-14-5-3-13(23)4-6-14/h3-7,11H,8-10H2,1-2H3,(H,25,28)

InChI Key

IUFHHTQPUSXQBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06591517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.87

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

3.359

Distribution Coefficient, logD

3.359

Water Solubility, LogSw

-3.75

Polar Surface Area

73.291

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F081-1338 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F081-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1338?
Check Price and Availability of F081-1338, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F081-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1338
  • 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 F081-1338 available by request