Y070-4395 Screening compound: 1-(3-hydroxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

Y070-4395 Screening compound: 1-(3-hydroxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
Y070-4395 Screening compound: 1-(3-hydroxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4395
1-(3-hydroxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-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

Y070-4395

Molecular Formula

C25H23N3O4S (C25 H23 N3 O4 S)

Compound Name

1-(3-hydroxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-(3-hydroxyphenyl)-67-dimethyl-2-[5-(2-methylpropyl)-134-thiadiazol-2-yl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(C)Cc1nnc(N(C(C2=C3Oc(cc(C)c(C)c4)c4C2=O)c2cc(O)ccc2)C3=O)s1

InChI

InChI=1S/C25H23N3O4S/c1-12(2)8-19-26-27-25(33-19)28-21(15-6-5-7-16(29)11-15)20-22(30)17-9-13(3)14(4)10-18(17)32-23(20)24(28)31/h5-7,9-12,21,29H,8H2,1-4H3/t21-/m1/s1

InChI Key

RSQHJUUULNUBPI-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04176849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.352

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-5.15

Polar Surface Area

77.553

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-8.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

Y070-4395 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y070-4395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4395?
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What is the minimum amount of Y070-4395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4395
  • 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 Y070-4395 available by request