4616-7813 Screening compound: 4-BENZOYL-3-HYDROXY-5-(4-HYDROXY-3-METHOXYPHENYL)-1-(2-HYDROXYETHYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE

4616-7813 Screening compound: 4-BENZOYL-3-HYDROXY-5-(4-HYDROXY-3-METHOXYPHENYL)-1-(2-HYDROXYETHYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE
4616-7813 Screening compound: 4-BENZOYL-3-HYDROXY-5-(4-HYDROXY-3-METHOXYPHENYL)-1-(2-HYDROXYETHYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4616-7813
4-BENZOYL-3-HYDROXY-5-(4-HYDROXY-3-METHOXYPHENYL)-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

4616-7813

Molecular Formula

C20H19NO6 (C20 H19 NO6)

Compound Name

4-BENZOYL-3-HYDROXY-5-(4-HYDROXY-3-METHOXYPHENYL)-1-(2-HYDROXYETHYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C20H19NO6/c1-27-15-11-13(7-8-14(15)23)17-16(18(24)12-5-3-2-4-6-12)19(25)20(26)21(17)9-10-22/h2-8,11,17,22-23,25H,9-10H2,1H3/t17-/m0/s1

InChI Key

BIVGYCKKLMLCSC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02159104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.212

Distribution Coefficient, logD

1.209

Water Solubility, LogSw

-2.14

Polar Surface Area

85.911

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

4616-7813 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4616-7813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4616-7813?
Check Price and Availability of 4616-7813, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4616-7813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4616-7813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4616-7813
  • 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 4616-7813 available by request