2922-0875 Screening compound: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(4-nitrophenoxy)-2,3-dihydro-1H-isoindole-1,3-dione

2922-0875 Screening compound: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(4-nitrophenoxy)-2,3-dihydro-1H-isoindole-1,3-dione
2922-0875 Screening compound: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(4-nitrophenoxy)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2922-0875
2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(4-nitrophenoxy)-2,3-dihydro-1H-isoindole-1,3-dione

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

2922-0875

Molecular Formula

C27H15N3O6 (C27 H15 N3 O6)

Compound Name

2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(4-nitrophenoxy)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[3-(13-benzoxazol-2-yl)phenyl]-5-(4-nitrophenoxy)-23-dihydro-1H-isoindole-13-dione

SMILES

[O-][N+](c(cc1)ccc1Oc(cc1)cc(C(N2c3cc(-c4nc(cccc5)c5o4)ccc3)=O)c1C2=O)=O

InChI

InChI=1S/C27H15N3O6/c31-26-21-13-12-20(35-19-10-8-17(9-11-19)30(33)34)15-22(21)27(32)29(26)18-5-3-4-16(14-18)25-28-23-6-1-2-7-24(23)36-25/h1-15H

InChI Key

KULAYMXVKYSWGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01078578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.035

Distribution Coefficient, logD

6.035

Water Solubility, LogSw

-6.01

Polar Surface Area

85.819

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2922-0875 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2922-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2922-0875?
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What is the minimum amount of 2922-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2922-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2922-0875
  • 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 2922-0875 available by request