4281-2733 Screening compound: ethyl 3-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate

4281-2733 Screening compound: ethyl 3-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
4281-2733 Screening compound: ethyl 3-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4281-2733
ethyl 3-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate

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

4281-2733

Molecular Formula

C25H21NO4 (C25 H21 NO4)

Compound Name

ethyl 3-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate

IUPAC name

ethyl 3-{3-[(13-dioxo-23-dihydro-1H-inden-2-ylidene)methyl]-25-dimethyl-1H-pyrrol-1-yl}benzoate

SMILES

CCOC(c1cccc(-n2c(C)c(C=C(C(c3c4cccc3)=O)C4=O)cc2C)c1)=O

InChI

InChI=1S/C25H21NO4/c1-4-30-25(29)17-8-7-9-19(13-17)26-15(2)12-18(16(26)3)14-22-23(27)20-10-5-6-11-21(20)24(22)28/h5-14H,4H2,1-3H3

InChI Key

RRFYTNJZAKXYFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.737

Distribution Coefficient, logD

4.737

Water Solubility, LogSw

-4.62

Polar Surface Area

49.965

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 4281-2733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4281-2733?
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What is the minimum amount of 4281-2733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4281-2733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4281-2733
  • 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 4281-2733 available by request