C202-3530 Screening compound: methyl 4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate

C202-3530 Screening compound: methyl 4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
C202-3530 Screening compound: methyl 4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3530
methyl 4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate

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

C202-3530

Molecular Formula

C29H29NO7 (C29 H29 NO7)

Compound Name

methyl 4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate

IUPAC name

methyl 4-{1-[2-(34-dimethoxyphenyl)ethyl]-4-hydroxy-3-(4-methoxyphenyl)-5-oxo-25-dihydro-1H-pyrrol-2-yl}benzoate

SMILES

COC(c1ccc(C(C(c(cc2)ccc2OC)=C2O)N(CCc(cc3)cc(OC)c3OC)C2=O)cc1)=O

InChI

InChI=1S/C29H29NO7/c1-34-22-12-10-19(11-13-22)25-26(20-6-8-21(9-7-20)29(33)37-4)30(28(32)27(25)31)16-15-18-5-14-23(35-2)24(17-18)36-3/h5-14,17,26,31H,15-16H2,1-4H3/t26-/m0/s1

InChI Key

OBXKNRAYXLUDCO-SANMLTNESA-N

MDL Number (MFCD)

MFCD26963353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.380

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.20

Polar Surface Area

75.045

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

C202-3530 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C202-3530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3530?
Check Price and Availability of C202-3530, 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 C202-3530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3530
  • 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 C202-3530 available by request