0073-0029 Screening compound: 1a,6a-diphenyl-1aH,6H,6aH-indeno[1,2-b]oxiren-6-one

0073-0029 Screening compound: 1a,6a-diphenyl-1aH,6H,6aH-indeno[1,2-b]oxiren-6-one
0073-0029 Screening compound: 1a,6a-diphenyl-1aH,6H,6aH-indeno[1,2-b]oxiren-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0073-0029
1a,6a-diphenyl-1aH,6H,6aH-indeno[1,2-b]oxiren-6-one

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

0073-0029

Molecular Formula

C21H14O2 (C21 H14 O2)

Compound Name

1a,6a-diphenyl-1aH,6H,6aH-indeno[1,2-b]oxiren-6-one

IUPAC name

1a6a-diphenyl-1aH6H6aH-indeno[12-b]oxiren-6-one

SMILES

O=C(C1(c2ccccc2)OC11c2ccccc2)c2c1cccc2

InChI

InChI=1S/C21H14O2/c22-19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)21(19,23-20)16-11-5-2-6-12-16/h1-14H

InChI Key

BSQKVWKWTYITQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00226971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.786

Distribution Coefficient, logD

4.786

Water Solubility, LogSw

-5.04

Polar Surface Area

20.889

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

9.50

0073-0029 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0073-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0073-0029?
Check Price and Availability of 0073-0029, 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 0073-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0073-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0073-0029
  • 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 0073-0029 available by request