4334-1582 Screening compound: 2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate

4334-1582 Screening compound: 2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
4334-1582 Screening compound: 2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-1582
2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl 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

4334-1582

Molecular Formula

C23H20N2O6 (C23 H20 N2 O6)

Compound Name

2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate

IUPAC name

2-[2-(3-methylbutyl)-13-dioxo-23-dihydro-1H-isoindol-5-yl]-4-oxo-4H-31-benzoxazin-6-yl acetate

SMILES

CC(C)CCN(C(c(cc1)c2cc1C(O1)=Nc(ccc(OC(C)=O)c3)c3C1=O)=O)C2=O

InChI

InChI=1S/C23H20N2O6/c1-12(2)8-9-25-21(27)16-6-4-14(10-17(16)22(25)28)20-24-19-7-5-15(30-13(3)26)11-18(19)23(29)31-20/h4-7,10-12H,8-9H2,1-3H3

InChI Key

YTEURNISBBXZNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01974143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.081

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-3.46

Polar Surface Area

80.439

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 4334-1582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-1582?
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What is the minimum amount of 4334-1582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-1582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-1582
  • 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 4334-1582 available by request