6172-0033 Screening compound: 3-(2,5-dimethylphenyl)-6-ethoxy-3,4-dihydro-2H-1,3-benzoxazine

6172-0033 Screening compound: 3-(2,5-dimethylphenyl)-6-ethoxy-3,4-dihydro-2H-1,3-benzoxazine
6172-0033 Screening compound: 3-(2,5-dimethylphenyl)-6-ethoxy-3,4-dihydro-2H-1,3-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6172-0033
3-(2,5-dimethylphenyl)-6-ethoxy-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

6172-0033

Molecular Formula

C18H21NO2 (C18 H21 NO2)

Compound Name

3-(2,5-dimethylphenyl)-6-ethoxy-3,4-dihydro-2H-1,3-benzoxazine

IUPAC name

3-(25-dimethylphenyl)-6-ethoxy-34-dihydro-2H-13-benzoxazine

SMILES

CCOc(cc1)cc(C2)c1OCN2c1c(C)ccc(C)c1

InChI

InChI=1S/C18H21NO2/c1-4-20-16-7-8-18-15(10-16)11-19(12-21-18)17-9-13(2)5-6-14(17)3/h5-10H,4,11-12H2,1-3H3

InChI Key

XLMIDRMYSQLGIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.972

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.70

Polar Surface Area

19.365

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6172-0033 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6172-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6172-0033?
Check Price and Availability of 6172-0033, 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 6172-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6172-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6172-0033
  • 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 6172-0033 available by request