4424-0922 Screening compound: methyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(2-methyl-4-propoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

4424-0922 Screening compound: methyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(2-methyl-4-propoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
4424-0922 Screening compound: methyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(2-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 4424-0922
methyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(2-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

4424-0922

Molecular Formula

C29H30N2O8S (C29 H30 N2 O8 S)

Compound Name

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

IUPAC name

methyl 2-[2-(34-dimethoxyphenyl)-4-hydroxy-3-(2-methyl-4-propoxybenzoyl)-5-oxo-25-dihydro-1H-pyrrol-1-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCCOc(cc1)cc(C)c1C(C(C(c(cc1)cc(OC)c1OC)N(C1=O)c2nc(C)c(C(OC)=O)s2)=C1O)=O

InChI

InChI=1S/C29H30N2O8S/c1-7-12-39-18-9-10-19(15(2)13-18)24(32)22-23(17-8-11-20(36-4)21(14-17)37-5)31(27(34)25(22)33)29-30-16(3)26(40-29)28(35)38-6/h8-11,13-14,23,33H,7,12H2,1-6H3/t23-/m1/s1

InChI Key

PDAYZJYLJWAXEU-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03932915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.029

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-4.70

Polar Surface Area

98.465

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

4424-0922 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4424-0922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4424-0922?
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What is the minimum amount of 4424-0922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4424-0922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4424-0922
  • 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 4424-0922 available by request