F158-0069 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}urea

F158-0069 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}urea
F158-0069 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F158-0069
3-(2H-1,3-benzodioxol-5-yl)-1-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}urea

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

F158-0069

Molecular Formula

C20H18N4O4 (C20 H18 N4 O4)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-1-{11-oxo-6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-2-yl}urea

IUPAC name

3-(2H-13-benzodioxol-5-yl)-1-{11-oxo-6H7H8H9H11H-pyrido[21-b]quinazolin-2-yl}urea

SMILES

O=C(Nc(cc1)cc2c1OCO2)Nc(cc1)cc2c1N=C(CCCC1)N1C2=O

InChI

InChI=1S/C20H18N4O4/c25-19-14-9-12(4-6-15(14)23-18-3-1-2-8-24(18)19)21-20(26)22-13-5-7-16-17(10-13)28-11-27-16/h4-7,9-10H,1-3,8,11H2,(H2,21,22,26)

InChI Key

MRJNWTZIAXOPPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27106010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.929

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.60

Polar Surface Area

75.807

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F158-0069 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F158-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F158-0069?
Check Price and Availability of F158-0069, 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 F158-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F158-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F158-0069
  • 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 F158-0069 available by request