4616-7814 Screening compound: 4-benzoyl-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-2,5-dihydro-1H-pyrrol-2-one

4616-7814 Screening compound: 4-benzoyl-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-2,5-dihydro-1H-pyrrol-2-one
4616-7814 Screening compound: 4-benzoyl-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4616-7814
4-benzoyl-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-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

4616-7814

Molecular Formula

C21H21NO6 (C21 H21 NO6)

Compound Name

4-benzoyl-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-benzoyl-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CCOc(cc(C(C(C(c1ccccc1)=O)=C1O)N(CCO)C1=O)cc1)c1O

InChI

InChI=1S/C21H21NO6/c1-2-28-16-12-14(8-9-15(16)24)18-17(19(25)13-6-4-3-5-7-13)20(26)21(27)22(18)10-11-23/h3-9,12,18,23-24,26H,2,10-11H2,1H3/t18-/m0/s1

InChI Key

HSJTZQRWWFCFPX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09661578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.731

Distribution Coefficient, logD

1.729

Water Solubility, LogSw

-2.32

Polar Surface Area

85.491

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

4616-7814 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

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 4616-7814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4616-7814?
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What is the minimum amount of 4616-7814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4616-7814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4616-7814
  • 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 4616-7814 available by request