Y070-2588 Screening compound: 3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(4-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one

Y070-2588 Screening compound: 3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(4-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one
Y070-2588 Screening compound: 3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(4-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-2588
3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(4-nitrophenyl)-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

Y070-2588

Molecular Formula

C26H24N4O6 (C26 H24 N4 O6)

Compound Name

3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(4-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(2-methyl-23-dihydro-1-benzofuran-5-carbonyl)-5-(4-nitrophenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C1)Oc(cc2)c1cc2C(C(C(c(cc1)ccc1[N+]([O-])=O)N(CCCn1cncc1)C1=O)=C1O)=O

InChI

InChI=1S/C26H24N4O6/c1-16-13-19-14-18(5-8-21(19)36-16)24(31)22-23(17-3-6-20(7-4-17)30(34)35)29(26(33)25(22)32)11-2-10-28-12-9-27-15-28/h3-9,12,14-16,23,32H,2,10-11,13H2,1H3

InChI Key

BAJGZISMZLHZNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04157045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.950

Distribution Coefficient, logD

2.707

Water Solubility, LogSw

-3.13

Polar Surface Area

98.389

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.90

Y070-2588 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-2588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2588?
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What is the minimum amount of Y070-2588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2588
  • 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 Y070-2588 available by request