4285-0414 Screening compound: methyl 4-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate

4285-0414 Screening compound: methyl 4-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate
4285-0414 Screening compound: methyl 4-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4285-0414
methyl 4-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate

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

4285-0414

Molecular Formula

C25H21NO4 (C25 H21 NO4)

Compound Name

methyl 4-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate

IUPAC name

methyl 4-{3-[(13-dioxo-23-dihydro-1H-inden-2-ylidene)methyl]-25-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate

SMILES

Cc1cc(C=C(C(c2c3cccc2)=O)C3=O)c(C)n1-c(cc1)c(C)cc1C(OC)=O

InChI

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

InChI Key

FKHATEQSSCACRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629185

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

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.732

Distribution Coefficient, logD

4.732

Water Solubility, LogSw

-4.64

Polar Surface Area

50.084

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 4285-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4285-0414?
Check Price and Availability of 4285-0414, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4285-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4285-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4285-0414
  • 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 4285-0414 available by request