Y010-0885 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

Y010-0885 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
Y010-0885 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0885
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-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

Y010-0885

Molecular Formula

C28H26FNO6 (C28 H26 FNO6)

Compound Name

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

1-[2-(34-dimethoxyphenyl)ethyl]-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

COc1ccc(C(C(C(c(cc2)ccc2F)=O)=C2O)N(CCc(cc3)cc(OC)c3OC)C2=O)cc1

InChI

InChI=1S/C28H26FNO6/c1-34-21-11-7-18(8-12-21)25-24(26(31)19-5-9-20(29)10-6-19)27(32)28(33)30(25)15-14-17-4-13-22(35-2)23(16-17)36-3/h4-13,16,25,32H,14-15H2,1-3H3/t25-/m1/s1

InChI Key

JDFNIAXRVMEVAG-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03779123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.057

Water Solubility, LogSw

-4.18

Polar Surface Area

67.610

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-6.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

Y010-0885 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y010-0885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0885?
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What is the minimum amount of Y010-0885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0885
  • 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 Y010-0885 available by request