8539-0707 Screening compound: methyl 2-[8-chloro-2-(4-fluorophenyl)-4H-imidazo[2,1-c][1,4]benzoxazin-4-yl]acetate

8539-0707 Screening compound: methyl 2-[8-chloro-2-(4-fluorophenyl)-4H-imidazo[2,1-c][1,4]benzoxazin-4-yl]acetate
8539-0707 Screening compound: methyl 2-[8-chloro-2-(4-fluorophenyl)-4H-imidazo[2,1-c][1,4]benzoxazin-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0707
methyl 2-[8-chloro-2-(4-fluorophenyl)-4H-imidazo[2,1-c][1,4]benzoxazin-4-yl]acetate

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

8539-0707

Molecular Formula

C19H14ClFN2O3 (C19 H14 ClFN2 O3)

Compound Name

methyl 2-[8-chloro-2-(4-fluorophenyl)-4H-imidazo[2,1-c][1,4]benzoxazin-4-yl]acetate

IUPAC name

methyl 2-[12-chloro-4-(4-fluorophenyl)-8-oxa-25-diazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-7-yl]acetate

SMILES

COC(CC1Oc(ccc(Cl)c2)c2-n2c1nc(-c(cc1)ccc1F)c2)=O

InChI

InChI=1S/C19H14ClFN2O3/c1-25-18(24)9-17-19-22-14(11-2-5-13(21)6-3-11)10-23(19)15-8-12(20)4-7-16(15)26-17/h2-8,10,17H,9H2,1H3/t17-/m1/s1

InChI Key

WHFCBSHHOKIVIQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD12196672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.52

Polar Surface Area

39.488

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8539-0707 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8539-0707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0707?
Check Price and Availability of 8539-0707, 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 8539-0707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0707
  • 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 8539-0707 available by request