E909-0067 Screening compound: 1-(2,4-difluorophenyl)-3-{9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-7-yl}urea

E909-0067 Screening compound: 1-(2,4-difluorophenyl)-3-{9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-7-yl}urea
E909-0067 Screening compound: 1-(2,4-difluorophenyl)-3-{9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-7-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E909-0067
1-(2,4-difluorophenyl)-3-{9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-7-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

E909-0067

Molecular Formula

C18H14F2N4O2 (C18 H14 F2 N4 O2)

Compound Name

1-(2,4-difluorophenyl)-3-{9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-7-yl}urea

IUPAC name

1-(24-difluorophenyl)-3-{9-oxo-1H2H3H9H-pyrrolo[21-b]quinazolin-7-yl}urea

SMILES

O=C(Nc(cc1)cc2c1N=C(CCC1)N1C2=O)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C18H14F2N4O2/c19-10-3-5-15(13(20)8-10)23-18(26)21-11-4-6-14-12(9-11)17(25)24-7-1-2-16(24)22-14/h3-6,8-9H,1-2,7H2,(H2,21,23,26)

InChI Key

XBHFIQMHFPYPQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.776

Distribution Coefficient, logD

2.774

Water Solubility, LogSw

-3.50

Polar Surface Area

58.360

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E909-0067 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E909-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E909-0067?
Check Price and Availability of E909-0067, 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 E909-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E909-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E909-0067
  • 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 E909-0067 available by request