Y070-4577 Screening compound: 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one

Y070-4577 Screening compound: 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
Y070-4577 Screening compound: 3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4577
3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-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

Y070-4577

Molecular Formula

C27H21N3O5S (C27 H21 N3 O5 S)

Compound Name

3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

3-hydroxy-1-(6-methoxy-13-benzothiazol-2-yl)-4-(2-methyl-23-dihydro-1-benzofuran-5-carbonyl)-5-(pyridin-3-yl)-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C1)Oc(cc2)c1cc2C(C(C(c1cnccc1)N(C1=O)c2nc(ccc(OC)c3)c3s2)=C1O)=O

InChI

InChI=1S/C27H21N3O5S/c1-14-10-17-11-15(5-8-20(17)35-14)24(31)22-23(16-4-3-9-28-13-16)30(26(33)25(22)32)27-29-19-7-6-18(34-2)12-21(19)36-27/h3-9,11-14,23,32H,10H2,1-2H3

InChI Key

PKQBBHZXSOHLCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05705018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.372

Distribution Coefficient, logD

4.220

Water Solubility, LogSw

-4.16

Polar Surface Area

78.214

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.50

Y070-4577 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 Y070-4577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4577?
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What is the minimum amount of Y070-4577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4577
  • 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 Y070-4577 available by request