0627-0168 Screening compound: 3-methylbutyl 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

0627-0168 Screening compound: 3-methylbutyl 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate
0627-0168 Screening compound: 3-methylbutyl 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0168
3-methylbutyl 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

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

0627-0168

Molecular Formula

C20H19NO4 (C20 H19 NO4)

Compound Name

3-methylbutyl 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

IUPAC name

3-methylbutyl 4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)benzoate

SMILES

CC(C)CCOC(c(cc1)ccc1N(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C20H19NO4/c1-13(2)11-12-25-20(24)14-7-9-15(10-8-14)21-18(22)16-5-3-4-6-17(16)19(21)23/h3-10,13H,11-12H2,1-2H3

InChI Key

PDJWUXFABWKFJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00381960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

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

4.528

Distribution Coefficient, logD

4.528

Water Solubility, LogSw

-4.19

Polar Surface Area

49.928

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0627-0168 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0627-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0168?
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What is the minimum amount of 0627-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0168
  • 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 0627-0168 available by request