F081-1467 Screening compound: N~1~-(3-chlorophenyl)-2-[4-oxo-7,8,9,10-tetrahydropyrimido[4',5':4,5]furo[2,3-b]quinolin-3(4H)-yl]acetamide

F081-1467 Screening compound: N~1~-(3-chlorophenyl)-2-[4-oxo-7,8,9,10-tetrahydropyrimido[4',5':4,5]furo[2,3-b]quinolin-3(4H)-yl]acetamide
F081-1467 Screening compound: N~1~-(3-chlorophenyl)-2-[4-oxo-7,8,9,10-tetrahydropyrimido[4',5':4,5]furo[2,3-b]quinolin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-1467
N~1~-(3-chlorophenyl)-2-[4-oxo-7,8,9,10-tetrahydropyrimido[4',5':4,5]furo[2,3-b]quinolin-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

F081-1467

Molecular Formula

C21H17ClN4O3 (C21 H17 ClN4 O3)

Compound Name

N~1~-(3-chlorophenyl)-2-[4-oxo-7,8,9,10-tetrahydropyrimido[4',5':4,5]furo[2,3-b]quinolin-3(4H)-yl]acetamide

IUPAC name

N-(3-chlorophenyl)-2-{15-oxo-17-oxa-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)12-pentaen-14-yl}acetamide

SMILES

O=C(CN(C=Nc1c2oc3c1cc(CCCC1)c1n3)C2=O)Nc1cccc(Cl)c1

InChI

InChI=1S/C21H17ClN4O3/c22-13-5-3-6-14(9-13)24-17(27)10-26-11-23-18-15-8-12-4-1-2-7-16(12)25-20(15)29-19(18)21(26)28/h3,5-6,8-9,11H,1-2,4,7,10H2,(H,24,27)

InChI Key

FPLZYPKSLCLFPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06604160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-4.26

Polar Surface Area

65.594

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

F081-1467 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 F081-1467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1467?
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What is the minimum amount of F081-1467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1467
  • 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 F081-1467 available by request