4662-1468 Screening compound: methyl (4Z)-1-(2-methoxyethyl)-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate

4662-1468 Screening compound: methyl (4Z)-1-(2-methoxyethyl)-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
4662-1468 Screening compound: methyl (4Z)-1-(2-methoxyethyl)-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4662-1468
methyl (4Z)-1-(2-methoxyethyl)-2-methyl-5-oxo-4-[(thiophen-2-yl)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

4662-1468

Molecular Formula

C15H17NO4S (C15 H17 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CCOC)C1=O)=C(C(OC)=O)/C1=C/c1cccs1

InChI

InChI=1S/C15H17NO4S/c1-10-13(15(18)20-3)12(9-11-5-4-8-21-11)14(17)16(10)6-7-19-2/h4-5,8-9H,6-7H2,1-3H3

InChI Key

NKTGMAYXDSRFSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03274388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.610

Distribution Coefficient, logD

1.610

Water Solubility, LogSw

-2.06

Polar Surface Area

46.721

Acid Dissociation Constant (pKa)

28.12

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4662-1468 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 4662-1468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4662-1468?
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What is the minimum amount of 4662-1468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4662-1468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4662-1468
  • 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 4662-1468 available by request