5936-0091 Screening compound: ethyl 5-[3-(diethylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate

5936-0091 Screening compound: ethyl 5-[3-(diethylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate
5936-0091 Screening compound: ethyl 5-[3-(diethylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5936-0091
ethyl 5-[3-(diethylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-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

5936-0091

Molecular Formula

C26H34N2O4 (C26 H34 N2 O4)

Compound Name

ethyl 5-[3-(diethylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate

IUPAC name

ethyl 5-[3-(diethylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate

SMILES

CCN(CC)CC(COc(cc1)cc(c(C(OCC)=O)c2C)c1n2-c1ccc(C)cc1)O

InChI

InChI=1S/C26H34N2O4/c1-6-27(7-2)16-21(29)17-32-22-13-14-24-23(15-22)25(26(30)31-8-3)19(5)28(24)20-11-9-18(4)10-12-20/h9-15,21,29H,6-8,16-17H2,1-5H3/t21-/m0/s1

InChI Key

ZZMSVDOWKGKDIK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03130478

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.861

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-4.66

Polar Surface Area

50.487

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

5936-0091 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5936-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5936-0091?
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What is the minimum amount of 5936-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5936-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5936-0091
  • 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 5936-0091 available by request