4031-2131 Screening compound: methyl (4Z)-4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate

4031-2131 Screening compound: methyl (4Z)-4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
4031-2131 Screening compound: methyl (4Z)-4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-2131
methyl (4Z)-4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-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

4031-2131

Molecular Formula

C19H20ClNO4 (C19 H20 ClNO4)

Compound Name

methyl (4Z)-4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (4Z)-4-[(3-chlorophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(N(CC1OCCC1)C1=O)=C(C(OC)=O)/C1=C/c1cccc(Cl)c1

InChI

InChI=1S/C19H20ClNO4/c1-12-17(19(23)24-2)16(10-13-5-3-6-14(20)9-13)18(22)21(12)11-15-7-4-8-25-15/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3/t15-/m1/s1

InChI Key

SIBOJGMPIZEJAY-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01829787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.827

Distribution Coefficient, logD

2.827

Water Solubility, LogSw

-3.46

Polar Surface Area

45.765

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 4031-2131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-2131?
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What is the minimum amount of 4031-2131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-2131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-2131
  • 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 4031-2131 available by request