4112-1929 Screening compound: 4-tert-butylphenyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

4112-1929 Screening compound: 4-tert-butylphenyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
4112-1929 Screening compound: 4-tert-butylphenyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-1929
4-tert-butylphenyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

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

4112-1929

Molecular Formula

C21H21NO4 (C21 H21 NO4)

Compound Name

4-tert-butylphenyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

IUPAC name

4-tert-butylphenyl 3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanoate

SMILES

CC(C)(C)c(cc1)ccc1OC(CCN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C21H21NO4/c1-21(2,3)14-8-10-15(11-9-14)26-18(23)12-13-22-19(24)16-6-4-5-7-17(16)20(22)25/h4-11H,12-13H2,1-3H3

InChI Key

LWFYEHZOQQFQIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02363091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.342

Distribution Coefficient, logD

4.342

Water Solubility, LogSw

-4.26

Polar Surface Area

49.524

Acid Dissociation Constant (pKa)

21.82

Base Dissociation Constant (pKb)

-8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4112-1929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-1929?
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What is the minimum amount of 4112-1929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-1929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-1929
  • 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 4112-1929 available by request