8018-6838 Screening compound: 4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol

8018-6838 Screening compound: 4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol
8018-6838 Screening compound: 4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6838
4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol

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

8018-6838

Molecular Formula

C26H21NO2 (C26 H21 NO2)

Compound Name

4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol

IUPAC name

4-(44-diphenyl-24-dihydro-1H-31-benzoxazin-2-yl)phenol

SMILES

Oc1ccc(C2OC(c3ccccc3)(c3ccccc3)c(cccc3)c3N2)cc1

InChI

InChI=1S/C26H21NO2/c28-22-17-15-19(16-18-22)25-27-24-14-8-7-13-23(24)26(29-25,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,25,27-28H/t25-/m0/s1

InChI Key

SUCPDJSIQBALKT-VWLOTQADSA-N

MDL Number (MFCD)

MFCD08142464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.862

Distribution Coefficient, logD

5.860

Water Solubility, LogSw

-5.96

Polar Surface Area

36.879

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.70

8018-6838 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8018-6838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6838?
Check Price and Availability of 8018-6838, 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 8018-6838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6838
  • 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 8018-6838 available by request