4207-0047 Screening compound: 4-{[(3Z)-4-(ethoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid

4207-0047 Screening compound: 4-{[(3Z)-4-(ethoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid
4207-0047 Screening compound: 4-{[(3Z)-4-(ethoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4207-0047
4-{[(3Z)-4-(ethoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid

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

4207-0047

Molecular Formula

C23H21NO6 (C23 H21 NO6)

Compound Name

4-{[(3Z)-4-(ethoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid

IUPAC name

4-{[(3Z)-4-(ethoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-23-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid

SMILES

CCOC(C(/C(/C1=O)=C/c(cc2)ccc2C(O)=O)=C(C)N1c(cc1)ccc1OC)=O

InChI

InChI=1S/C23H21NO6/c1-4-30-23(28)20-14(2)24(17-9-11-18(29-3)12-10-17)21(25)19(20)13-15-5-7-16(8-6-15)22(26)27/h5-13H,4H2,1-3H3,(H,26,27)

InChI Key

NPFCTTQNSVVUBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

0.166

Water Solubility, LogSw

-4.12

Polar Surface Area

72.031

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 4207-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4207-0047?
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What is the minimum amount of 4207-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4207-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4207-0047
  • 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 4207-0047 available by request