Y070-5052 Screening compound: 7-bromo-2-(6-methylpyridin-2-yl)-1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

Y070-5052 Screening compound: 7-bromo-2-(6-methylpyridin-2-yl)-1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
Y070-5052 Screening compound: 7-bromo-2-(6-methylpyridin-2-yl)-1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-5052
7-bromo-2-(6-methylpyridin-2-yl)-1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

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

Y070-5052

Molecular Formula

C24H17BrN2O3S (C24 H17 BrN2 O3 S)

Compound Name

7-bromo-2-(6-methylpyridin-2-yl)-1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

7-bromo-2-(6-methylpyridin-2-yl)-1-[4-(methylsulfanyl)phenyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Cc1cccc(N(C(C2=C3Oc(ccc(Br)c4)c4C2=O)c(cc2)ccc2SC)C3=O)n1

InChI

InChI=1S/C24H17BrN2O3S/c1-13-4-3-5-19(26-13)27-21(14-6-9-16(31-2)10-7-14)20-22(28)17-12-15(25)8-11-18(17)30-23(20)24(27)29/h3-12,21H,1-2H3/t21-/m1/s1

InChI Key

ODUXLVMYMWVODL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04161615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.816

Distribution Coefficient, logD

5.816

Water Solubility, LogSw

-5.65

Polar Surface Area

44.007

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

Y070-5052 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y070-5052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-5052?
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What is the minimum amount of Y070-5052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-5052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-5052
  • 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 Y070-5052 available by request