E222-0009 Screening compound: methyl 1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-5-(2-furyl)-1H-pyrrole-2-carboxylate

E222-0009 Screening compound: methyl 1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-5-(2-furyl)-1H-pyrrole-2-carboxylate
E222-0009 Screening compound: methyl 1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-5-(2-furyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E222-0009
methyl 1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-5-(2-furyl)-1H-pyrrole-2-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

E222-0009

Molecular Formula

C20H18N2O4 (C20 H18 N2 O4)

Compound Name

methyl 1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-5-(2-furyl)-1H-pyrrole-2-carboxylate

IUPAC name

methyl 1-[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]-5-(furan-2-yl)-1H-pyrrole-2-carboxylate

SMILES

COC(c1ccc(-c2ccco2)n1CC(N(CC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C20H18N2O4/c1-25-20(24)17-9-8-16(18-7-4-12-26-18)22(17)13-19(23)21-11-10-14-5-2-3-6-15(14)21/h2-9,12H,10-11,13H2,1H3

InChI Key

JPHFOVYBVFVZJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.969

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.19

Polar Surface Area

45.346

Acid Dissociation Constant (pKa)

19.90

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E222-0009 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 E222-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E222-0009?
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What is the minimum amount of E222-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E222-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E222-0009
  • 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 E222-0009 available by request