Y070-4964 Screening compound: 5-(4-ethylphenyl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one

Y070-4964 Screening compound: 5-(4-ethylphenyl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
Y070-4964 Screening compound: 5-(4-ethylphenyl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4964
5-(4-ethylphenyl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(1,3-thiazol-2-yl)-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

Y070-4964

Molecular Formula

C25H22N2O4S (C25 H22 N2 O4 S)

Compound Name

5-(4-ethylphenyl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-(4-ethylphenyl)-3-hydroxy-4-(2-methyl-23-dihydro-1-benzofuran-5-carbonyl)-1-(13-thiazol-2-yl)-25-dihydro-1H-pyrrol-2-one

SMILES

CCc1ccc(C(C(C(c(cc2)cc3c2OC(C)C3)=O)=C(C2=O)O)N2c2nccs2)cc1

InChI

InChI=1S/C25H22N2O4S/c1-3-15-4-6-16(7-5-15)21-20(23(29)24(30)27(21)25-26-10-11-32-25)22(28)17-8-9-19-18(13-17)12-14(2)31-19/h4-11,13-14,21,29H,3,12H2,1-2H3

InChI Key

JAFGIOLRCVIFAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06592483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.768

Distribution Coefficient, logD

4.625

Water Solubility, LogSw

-4.53

Polar Surface Area

61.869

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

Y070-4964 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y070-4964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4964?
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What is the minimum amount of Y070-4964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4964
  • 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 Y070-4964 available by request