4334-0977 Screening compound: 3-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]benzonitrile

4334-0977 Screening compound: 3-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]benzonitrile
4334-0977 Screening compound: 3-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-0977
3-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]benzonitrile

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

4334-0977

Molecular Formula

C23H11N3O4 (C23 H11 N3 O4)

Compound Name

3-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]benzonitrile

IUPAC name

3-[13-dioxo-5-(4-oxo-4H-31-benzoxazin-2-yl)-23-dihydro-1H-isoindol-2-yl]benzonitrile

SMILES

N#Cc1cccc(N(C(c(cc2)c3cc2C(O2)=Nc(cccc4)c4C2=O)=O)C3=O)c1

InChI

InChI=1S/C23H11N3O4/c24-12-13-4-3-5-15(10-13)26-21(27)16-9-8-14(11-18(16)22(26)28)20-25-19-7-2-1-6-17(19)23(29)30-20/h1-11H

InChI Key

LVDICHPUYRVVPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02032304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

3.131

Water Solubility, LogSw

-3.86

Polar Surface Area

75.883

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 4334-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-0977?
Check Price and Availability of 4334-0977, 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 4334-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-0977
  • 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 4334-0977 available by request