8018-6800 Screening compound: 2,4-dichloro-6-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol

8018-6800 Screening compound: 2,4-dichloro-6-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol
8018-6800 Screening compound: 2,4-dichloro-6-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6800
2,4-dichloro-6-(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

8018-6800

Molecular Formula

C26H19Cl2NO2 (C26 H19 Cl2 NO2)

Compound Name

2,4-dichloro-6-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)phenol

IUPAC name

24-dichloro-6-(44-diphenyl-24-dihydro-1H-31-benzoxazin-2-yl)phenol

SMILES

Oc(c(C1OC(c2ccccc2)(c2ccccc2)c(cccc2)c2N1)cc(Cl)c1)c1Cl

InChI

InChI=1S/C26H19Cl2NO2/c27-19-15-20(24(30)22(28)16-19)25-29-23-14-8-7-13-21(23)26(31-25,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,25,29-30H/t25-/m0/s1

InChI Key

QORKFCUJENAXDK-VWLOTQADSA-N

MDL Number (MFCD)

MFCD08142426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.35

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

7.580

Distribution Coefficient, logD

7.507

Water Solubility, LogSw

-6.25

Polar Surface Area

34.741

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.70

8018-6800 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8018-6800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6800?
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What is the minimum amount of 8018-6800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6800
  • 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 8018-6800 available by request