3042-4811 Screening compound: 4-acetyl-5-(2H-1,3-benzodioxol-5-yl)-1-hexyl-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one

3042-4811 Screening compound: 4-acetyl-5-(2H-1,3-benzodioxol-5-yl)-1-hexyl-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
3042-4811 Screening compound: 4-acetyl-5-(2H-1,3-benzodioxol-5-yl)-1-hexyl-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3042-4811
4-acetyl-5-(2H-1,3-benzodioxol-5-yl)-1-hexyl-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one

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

3042-4811

Molecular Formula

C19H23NO5 (C19 H23 NO5)

Compound Name

4-acetyl-5-(2H-1,3-benzodioxol-5-yl)-1-hexyl-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-acetyl-5-(2H-13-benzodioxol-5-yl)-1-hexyl-3-hydroxy-25-dihydro-1H-pyrrol-2-one

SMILES

CCCCCCN(C(C(C(C)=O)=C1O)c(cc2)cc3c2OCO3)C1=O

InChI

InChI=1S/C19H23NO5/c1-3-4-5-6-9-20-17(16(12(2)21)18(22)19(20)23)13-7-8-14-15(10-13)25-11-24-14/h7-8,10,17,22H,3-6,9,11H2,1-2H3/t17-/m0/s1

InChI Key

QSSRFIRPIYTBRR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01541669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.09

Polar Surface Area

62.552

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with 3042-4811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3042-4811?
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What is the minimum amount of 3042-4811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3042-4811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3042-4811
  • 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 3042-4811 available by request