8018-2091 Screening compound: 2-methoxyethyl 1-[2-(4-fluorophenoxy)ethyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate

8018-2091 Screening compound: 2-methoxyethyl 1-[2-(4-fluorophenoxy)ethyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate
8018-2091 Screening compound: 2-methoxyethyl 1-[2-(4-fluorophenoxy)ethyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2091
2-methoxyethyl 1-[2-(4-fluorophenoxy)ethyl]-5-hydroxy-2-methyl-1H-indole-3-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

8018-2091

Molecular Formula

C21H22FNO5 (C21 H22 FNO5)

Compound Name

2-methoxyethyl 1-[2-(4-fluorophenoxy)ethyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate

IUPAC name

2-methoxyethyl 1-[2-(4-fluorophenoxy)ethyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate

SMILES

Cc1c(C(OCCOC)=O)c(cc(cc2)O)c2n1CCOc(cc1)ccc1F

InChI

InChI=1S/C21H22FNO5/c1-14-20(21(25)28-12-11-26-2)18-13-16(24)5-8-19(18)23(14)9-10-27-17-6-3-15(22)4-7-17/h3-8,13,24H,9-12H2,1-2H3

InChI Key

HSSOMCQOWOTTPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.218

Water Solubility, LogSw

-3.26

Polar Surface Area

55.842

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8018-2091 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-2091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2091?
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What is the minimum amount of 8018-2091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2091
  • 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 8018-2091 available by request