Y070-5021 Screening compound: methyl 2-{3-hydroxy-2-oxo-4-[4-(prop-2-en-1-yloxy)benzoyl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

Y070-5021 Screening compound: methyl 2-{3-hydroxy-2-oxo-4-[4-(prop-2-en-1-yloxy)benzoyl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Y070-5021 Screening compound: methyl 2-{3-hydroxy-2-oxo-4-[4-(prop-2-en-1-yloxy)benzoyl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-5021
methyl 2-{3-hydroxy-2-oxo-4-[4-(prop-2-en-1-yloxy)benzoyl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

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

Y070-5021

Molecular Formula

C25H21N3O6S (C25 H21 N3 O6 S)

Compound Name

methyl 2-{3-hydroxy-2-oxo-4-[4-(prop-2-en-1-yloxy)benzoyl]-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

methyl 2-{3-hydroxy-2-oxo-4-[4-(prop-2-en-1-yloxy)benzoyl]-5-(pyridin-3-yl)-25-dihydro-1H-pyrrol-1-yl}-4-methyl-13-thiazole-5-carboxylate

SMILES

Cc1c(C(OC)=O)sc(N(C(C(C(c(cc2)ccc2OCC=C)=O)=C2O)c3cnccc3)C2=O)n1

InChI

InChI=1S/C25H21N3O6S/c1-4-12-34-17-9-7-15(8-10-17)20(29)18-19(16-6-5-11-26-13-16)28(23(31)21(18)30)25-27-14(2)22(35-25)24(32)33-3/h4-11,13,19,30H,1,12H2,2-3H3/t19-/m1/s1

InChI Key

ZCHGMAVDHQDKNZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04167164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.291

Distribution Coefficient, logD

3.139

Water Solubility, LogSw

-3.07

Polar Surface Area

92.722

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

Y070-5021 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y070-5021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-5021?
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What is the minimum amount of Y070-5021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-5021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-5021
  • 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 Y070-5021 available by request