4334-0106 Screening compound: 2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]phenyl acetate

4334-0106 Screening compound: 2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]phenyl acetate
4334-0106 Screening compound: 2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-0106
2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]phenyl acetate

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

4334-0106

Molecular Formula

C24H14N2O6 (C24 H14 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc(cccc1)c1N(C(c(cc1)c2cc1C(O1)=Nc(cccc3)c3C1=O)=O)C2=O)=O

InChI

InChI=1S/C24H14N2O6/c1-13(27)31-20-9-5-4-8-19(20)26-22(28)15-11-10-14(12-17(15)23(26)29)21-25-18-7-3-2-6-16(18)24(30)32-21/h2-12H,1H3

InChI Key

TVUQPWDKTVCQJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02031539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.008

Distribution Coefficient, logD

3.008

Water Solubility, LogSw

-3.63

Polar Surface Area

79.364

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

4334-0106 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4334-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-0106?
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What is the minimum amount of 4334-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-0106
  • 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 4334-0106 available by request