4983-0207 Screening compound: methyl (4E)-2-methyl-4-{[5-({N-[(4-methylphenyl)methyl]4-chlorobenzenesulfonamido}methyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4983-0207 Screening compound: methyl (4E)-2-methyl-4-{[5-({N-[(4-methylphenyl)methyl]4-chlorobenzenesulfonamido}methyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4983-0207 Screening compound: methyl (4E)-2-methyl-4-{[5-({N-[(4-methylphenyl)methyl]4-chlorobenzenesulfonamido}methyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4983-0207
methyl (4E)-2-methyl-4-{[5-({N-[(4-methylphenyl)methyl]4-chlorobenzenesulfonamido}methyl)furan-2-yl]methylidene}-5-oxo-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

4983-0207

Molecular Formula

C27H25ClN2O6S (C27 H25 ClN2 O6 S)

Compound Name

methyl (4E)-2-methyl-4-{[5-({N-[(4-methylphenyl)methyl]4-chlorobenzenesulfonamido}methyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (4E)-2-methyl-4-{[5-({N-[(4-methylphenyl)methyl]4-chlorobenzenesulfonamido}methyl)furan-2-yl]methylidene}-5-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(NC1=O)=C(C(OC)=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(c(cc2)ccc2Cl)(=O)=O)o1

InChI

InChI=1S/C27H25ClN2O6S/c1-17-4-6-19(7-5-17)15-30(37(33,34)23-12-8-20(28)9-13-23)16-22-11-10-21(36-22)14-24-25(27(32)35-3)18(2)29-26(24)31/h4-14H,15-16H2,1-3H3,(H,29,31)

InChI Key

DMEOCRWSVRSBBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03068308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.02

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.134

Distribution Coefficient, logD

4.903

Water Solubility, LogSw

-5.55

Polar Surface Area

84.151

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

4983-0207 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4983-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4983-0207?
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What is the minimum amount of 4983-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4983-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4983-0207
  • 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 4983-0207 available by request