8015-0002 Screening compound: 2-chloro-4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)-6-methoxyphenol

8015-0002 Screening compound: 2-chloro-4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)-6-methoxyphenol
8015-0002 Screening compound: 2-chloro-4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)-6-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0002
2-chloro-4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)-6-methoxyphenol

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

8015-0002

Molecular Formula

C27H22ClNO3 (C27 H22 ClNO3)

Compound Name

2-chloro-4-(4,4-diphenyl-2,4-dihydro-1H-3,1-benzoxazin-2-yl)-6-methoxyphenol

IUPAC name

2-chloro-4-(44-diphenyl-24-dihydro-1H-31-benzoxazin-2-yl)-6-methoxyphenol

SMILES

COc1cc(C2OC(c3ccccc3)(c3ccccc3)c(cccc3)c3N2)cc(Cl)c1O

InChI

InChI=1S/C27H22ClNO3/c1-31-24-17-18(16-22(28)25(24)30)26-29-23-15-9-8-14-21(23)27(32-26,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,26,29-30H,1H3/t26-/m0/s1

InChI Key

CLVBXYOTCBCESM-SANMLTNESA-N

MDL Number (MFCD)

MFCD03821560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.748

Distribution Coefficient, logD

6.677

Water Solubility, LogSw

-6.01

Polar Surface Area

42.371

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

8015-0002 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Carbonic Anhydrase II Library (4939 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 8015-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0002?
Check Price and Availability of 8015-0002, 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 8015-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0002
  • 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 8015-0002 available by request