4693-0544 Screening compound: 4-{[(3Z)-1-[(furan-2-yl)methyl]-4-(methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid

4693-0544 Screening compound: 4-{[(3Z)-1-[(furan-2-yl)methyl]-4-(methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid
4693-0544 Screening compound: 4-{[(3Z)-1-[(furan-2-yl)methyl]-4-(methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4693-0544
4-{[(3Z)-1-[(furan-2-yl)methyl]-4-(methoxycarbonyl)-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

4693-0544

Molecular Formula

C20H17NO6 (C20 H17 NO6)

Compound Name

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

IUPAC name

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

SMILES

CC(N(Cc1ccco1)C1=O)=C(C(OC)=O)/C1=C/c(cc1)ccc1C(O)=O

InChI

InChI=1S/C20H17NO6/c1-12-17(20(25)26-2)16(10-13-5-7-14(8-6-13)19(23)24)18(22)21(12)11-15-4-3-9-27-15/h3-10H,11H2,1-2H3,(H,23,24)

InChI Key

FNFKPRUOPAVSKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01894080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.947

Distribution Coefficient, logD

-0.659

Water Solubility, LogSw

-3.01

Polar Surface Area

73.267

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 4693-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4693-0544?
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What is the minimum amount of 4693-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4693-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4693-0544
  • 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 4693-0544 available by request