8539-0701 Screening compound: methyl 2-[2-(4-methylphenyl)-4H-imidazo[2,1-c][1,4]benzoxazin-4-yl]acetate

8539-0701 Screening compound: methyl 2-[2-(4-methylphenyl)-4H-imidazo[2,1-c][1,4]benzoxazin-4-yl]acetate
8539-0701 Screening compound: methyl 2-[2-(4-methylphenyl)-4H-imidazo[2,1-c][1,4]benzoxazin-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0701
methyl 2-[2-(4-methylphenyl)-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

8539-0701

Molecular Formula

C20H18N2O3 (C20 H18 N2 O3)

Compound Name

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

IUPAC name

n/a

SMILES

Cc(cc1)ccc1-c1cn2-c(cccc3)c3OC(CC(OC)=O)c2n1

InChI

InChI=1S/C20H18N2O3/c1-13-7-9-14(10-8-13)15-12-22-16-5-3-4-6-17(16)25-18(20(22)21-15)11-19(23)24-2/h3-10,12,18H,11H2,1-2H3/t18-/m0/s1

InChI Key

SPGWZNVLSODRAX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD12196661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

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

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.31

Polar Surface Area

39.488

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8539-0701 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

BRD4 Targeted Library (4534 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
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8539-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0701?
Check Price and Availability of 8539-0701, 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 8539-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0701
  • 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 8539-0701 available by request