3976-0261 Screening compound: 3-(2-iodophenyl)-6-methoxy-3,4-dihydro-2H-1,3-benzoxazine

3976-0261 Screening compound: 3-(2-iodophenyl)-6-methoxy-3,4-dihydro-2H-1,3-benzoxazine
3976-0261 Screening compound: 3-(2-iodophenyl)-6-methoxy-3,4-dihydro-2H-1,3-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3976-0261
3-(2-iodophenyl)-6-methoxy-3,4-dihydro-2H-1,3-benzoxazine

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

3976-0261

Molecular Formula

C15H14INO2 (C15 H14 INO2)

Compound Name

3-(2-iodophenyl)-6-methoxy-3,4-dihydro-2H-1,3-benzoxazine

IUPAC name

3-(2-iodophenyl)-6-methoxy-34-dihydro-2H-13-benzoxazine

SMILES

COc(cc1)cc(C2)c1OCN2c(cccc1)c1I

InChI

InChI=1S/C15H14INO2/c1-18-12-6-7-15-11(8-12)9-17(10-19-15)14-5-3-2-4-13(14)16/h2-8H,9-10H2,1H3

InChI Key

LVBBYOVRPASCLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.19

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.243

Water Solubility, LogSw

-4.38

Polar Surface Area

19.786

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3976-0261 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3976-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3976-0261?
Check Price and Availability of 3976-0261, 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 3976-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3976-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3976-0261
  • 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 3976-0261 available by request