4031-0335 Screening compound: methyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate

4031-0335 Screening compound: methyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
4031-0335 Screening compound: methyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-0335
methyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrrole-3-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

4031-0335

Molecular Formula

C21H27NO6 (C21 H27 NO6)

Compound Name

methyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-[(345-trimethoxyphenyl)methylidene]-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(C)CN(C(C)=C(C(OC)=O)/C1=C/c(cc2OC)cc(OC)c2OC)C1=O

InChI

InChI=1S/C21H27NO6/c1-12(2)11-22-13(3)18(21(24)28-7)15(20(22)23)8-14-9-16(25-4)19(27-6)17(10-14)26-5/h8-10,12H,11H2,1-7H3

InChI Key

KSRJRMFKMJIVQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01470885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.234

Distribution Coefficient, logD

3.234

Water Solubility, LogSw

-3.38

Polar Surface Area

60.360

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 4031-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-0335?
Check Price and Availability of 4031-0335, 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 4031-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-0335
  • 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 4031-0335 available by request