4191-3768 Screening compound: methyl (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate

4191-3768 Screening compound: methyl (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
4191-3768 Screening compound: methyl (4Z)-4-[(4-bromophenyl)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 4191-3768
methyl (4Z)-4-[(4-bromophenyl)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

4191-3768

Molecular Formula

C19H20BrNO4 (C19 H20 BrNO4)

Compound Name

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

IUPAC name

methyl (4Z)-4-[(4-bromophenyl)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/c(cc1)ccc1Br

InChI

InChI=1S/C19H20BrNO4/c1-12-17(19(23)24-2)16(10-13-5-7-14(20)8-6-13)18(22)21(12)11-15-4-3-9-25-15/h5-8,10,15H,3-4,9,11H2,1-2H3/t15-/m1/s1

InChI Key

QWQDADXMOAGZEA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01893839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.28

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

3.122

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.03

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

4191-3768 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4191-3768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4191-3768?
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What is the minimum amount of 4191-3768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4191-3768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4191-3768
  • 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 4191-3768 available by request