4678-2045 Screening compound: 4-(4-butoxy-2-methylbenzoyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

4678-2045 Screening compound: 4-(4-butoxy-2-methylbenzoyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
4678-2045 Screening compound: 4-(4-butoxy-2-methylbenzoyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-2045
4-(4-butoxy-2-methylbenzoyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-hydroxy-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

4678-2045

Molecular Formula

C28H36N2O6 (C28 H36 N2 O6)

Compound Name

4-(4-butoxy-2-methylbenzoyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(4-butoxy-2-methylbenzoyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CCCCOc(cc1)cc(C)c1C(C(C(c(cc1)cc(OC)c1O)N(CCCN(C)C)C1=O)=C1O)=O

InChI

InChI=1S/C28H36N2O6/c1-6-7-15-36-20-10-11-21(18(2)16-20)26(32)24-25(19-9-12-22(31)23(17-19)35-5)30(28(34)27(24)33)14-8-13-29(3)4/h9-12,16-17,25,31,33H,6-8,13-15H2,1-5H3/t25-/m0/s1

InChI Key

VJWDATICICYQMB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03042938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

1.809

Water Solubility, LogSw

-3.54

Polar Surface Area

80.539

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

4678-2045 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 4678-2045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-2045?
Check Price and Availability of 4678-2045, 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 4678-2045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-2045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-2045
  • 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 4678-2045 available by request