4424-0329 Screening compound: methyl 2-[2-(2-fluorophenyl)-4-hydroxy-3-(3-methyl-4-propoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

4424-0329 Screening compound: methyl 2-[2-(2-fluorophenyl)-4-hydroxy-3-(3-methyl-4-propoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
4424-0329 Screening compound: methyl 2-[2-(2-fluorophenyl)-4-hydroxy-3-(3-methyl-4-propoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4424-0329
methyl 2-[2-(2-fluorophenyl)-4-hydroxy-3-(3-methyl-4-propoxybenzoyl)-5-oxo-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

4424-0329

Molecular Formula

C27H25FN2O6S (C27 H25 FN2 O6 S)

Compound Name

methyl 2-[2-(2-fluorophenyl)-4-hydroxy-3-(3-methyl-4-propoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

methyl 2-[2-(2-fluorophenyl)-4-hydroxy-3-(3-methyl-4-propoxybenzoyl)-5-oxo-25-dihydro-1H-pyrrol-1-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCCOc(cc1)c(C)cc1C(C(C(c(cccc1)c1F)N(C1=O)c2nc(C)c(C(OC)=O)s2)=C1O)=O

InChI

InChI=1S/C27H25FN2O6S/c1-5-12-36-19-11-10-16(13-14(19)2)22(31)20-21(17-8-6-7-9-18(17)28)30(25(33)23(20)32)27-29-15(3)24(37-27)26(34)35-4/h6-11,13,21,32H,5,12H2,1-4H3/t21-/m1/s1

InChI Key

ZJMNTAIQMFXJSG-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03226098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.696

Distribution Coefficient, logD

5.553

Water Solubility, LogSw

-5.45

Polar Surface Area

83.291

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

4424-0329 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 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 4424-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0329?
Check Price and Availability of 4424-0329, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4424-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0329
  • 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 4424-0329 available by request