4424-0567 Screening compound: prop-2-en-1-yl 2-[2-(2-fluorophenyl)-4-hydroxy-3-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

4424-0567 Screening compound: prop-2-en-1-yl 2-[2-(2-fluorophenyl)-4-hydroxy-3-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
4424-0567 Screening compound: prop-2-en-1-yl 2-[2-(2-fluorophenyl)-4-hydroxy-3-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-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 4424-0567
prop-2-en-1-yl 2-[2-(2-fluorophenyl)-4-hydroxy-3-[3-methyl-4-(prop-2-en-1-yloxy)benzoyl]-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

4424-0567

Molecular Formula

C29H25FN2O6S (C29 H25 FN2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(OCC=C)=O)sc(N(C(C(C(c(cc2)cc(C)c2OCC=C)=O)=C2O)c(cccc3)c3F)C2=O)n1

InChI

InChI=1S/C29H25FN2O6S/c1-5-13-37-21-12-11-18(15-16(21)3)24(33)22-23(19-9-7-8-10-20(19)30)32(27(35)25(22)34)29-31-17(4)26(39-29)28(36)38-14-6-2/h5-12,15,23,34H,1-2,13-14H2,3-4H3/t23-/m1/s1

InChI Key

XXRRWHOGRMJNRN-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06265026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.882

Distribution Coefficient, logD

5.739

Water Solubility, LogSw

-5.60

Polar Surface Area

83.165

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-5.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

4424-0567 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 4424-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0567?
Check Price and Availability of 4424-0567, 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 4424-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0567
  • 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 4424-0567 available by request