6913-0006 Screening compound: ethyl 5-[3-(diethylamino)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate

6913-0006 Screening compound: ethyl 5-[3-(diethylamino)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate
6913-0006 Screening compound: ethyl 5-[3-(diethylamino)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6913-0006
ethyl 5-[3-(diethylamino)-2-hydroxypropoxy]-1,2-dimethyl-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

6913-0006

Molecular Formula

C20H30N2O4 (C20 H30 N2 O4)

Compound Name

ethyl 5-[3-(diethylamino)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate

IUPAC name

ethyl 5-[3-(diethylamino)-2-hydroxypropoxy]-12-dimethyl-1H-indole-3-carboxylate

SMILES

CCN(CC)CC(COc(cc1)cc2c1n(C)c(C)c2C(OCC)=O)O

InChI

InChI=1S/C20H30N2O4/c1-6-22(7-2)12-15(23)13-26-16-9-10-18-17(11-16)19(14(4)21(18)5)20(24)25-8-3/h9-11,15,23H,6-8,12-13H2,1-5H3/t15-/m0/s1

InChI Key

IUSKZMSATLFNGM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD09972581

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.808

Distribution Coefficient, logD

1.315

Water Solubility, LogSw

-2.87

Polar Surface Area

50.826

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

6913-0006 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6913-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6913-0006?
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What is the minimum amount of 6913-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6913-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6913-0006
  • 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 6913-0006 available by request