4530-7178 Screening compound: 4-acetyl-5-[4-(dimethylamino)phenyl]-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

4530-7178 Screening compound: 4-acetyl-5-[4-(dimethylamino)phenyl]-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
4530-7178 Screening compound: 4-acetyl-5-[4-(dimethylamino)phenyl]-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4530-7178
4-acetyl-5-[4-(dimethylamino)phenyl]-3-hydroxy-1-[(pyridin-3-yl)methyl]-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

4530-7178

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

4-acetyl-5-[4-(dimethylamino)phenyl]-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-acetyl-5-[4-(dimethylamino)phenyl]-3-hydroxy-1-[(pyridin-3-yl)methyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C(C(c(cc1)ccc1N(C)C)N(Cc1cnccc1)C1=O)=C1O)=O

InChI

InChI=1S/C20H21N3O3/c1-13(24)17-18(15-6-8-16(9-7-15)22(2)3)23(20(26)19(17)25)12-14-5-4-10-21-11-14/h4-11,18,25H,12H2,1-3H3/t18-/m0/s1

InChI Key

ULAKIRYGFYPIRC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03287873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.158

Distribution Coefficient, logD

1.139

Water Solubility, LogSw

-1.07

Polar Surface Area

57.509

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4530-7178 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 4530-7178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4530-7178?
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What is the minimum amount of 4530-7178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4530-7178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4530-7178
  • 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 4530-7178 available by request