2712-4926 Screening compound: 4-propanoylphenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoate

2712-4926 Screening compound: 4-propanoylphenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoate
2712-4926 Screening compound: 4-propanoylphenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-4926
4-propanoylphenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoate

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

2712-4926

Molecular Formula

C22H21NO5 (C22 H21 NO5)

Compound Name

4-propanoylphenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoate

IUPAC name

4-propanoylphenyl 2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-methylbutanoate

SMILES

CCC(c(cc1)ccc1OC(C(C(C)C)N(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C22H21NO5/c1-4-18(24)14-9-11-15(12-10-14)28-22(27)19(13(2)3)23-20(25)16-7-5-6-8-17(16)21(23)26/h5-13,19H,4H2,1-3H3/t19-/m0/s1

InChI Key

WFTYRFUGVNAJCA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01911665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.001

Distribution Coefficient, logD

4.001

Water Solubility, LogSw

-4.33

Polar Surface Area

62.349

Acid Dissociation Constant (pKa)

20.83

Base Dissociation Constant (pKb)

-9.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

2712-4926 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2712-4926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-4926?
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What is the minimum amount of 2712-4926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-4926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-4926
  • 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 2712-4926 available by request