4530-7000 Screening compound: 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

4530-7000 Screening compound: 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
4530-7000 Screening compound: 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4530-7000
4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-(3-methoxyphenyl)-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

4530-7000

Molecular Formula

C14H15NO5 (C14 H15 NO5)

Compound Name

4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-(3-methoxyphenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C(C(c1cc(OC)ccc1)N(CO)C1=O)=C1O)=O

InChI

InChI=1S/C14H15NO5/c1-8(17)11-12(15(7-16)14(19)13(11)18)9-4-3-5-10(6-9)20-2/h3-6,12,16,18H,7H2,1-2H3/t12-/m0/s1

InChI Key

VAVINVATYRKOAL-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02231531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.397

Distribution Coefficient, logD

0.370

Water Solubility, LogSw

-1.46

Polar Surface Area

69.025

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

4530-7000 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4530-7000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4530-7000?
Check Price and Availability of 4530-7000, 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 4530-7000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4530-7000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4530-7000
  • 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 4530-7000 available by request