6913-0025 Screening compound: ethyl 5-[3-(benzylamino)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate

6913-0025 Screening compound: ethyl 5-[3-(benzylamino)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate
6913-0025 Screening compound: ethyl 5-[3-(benzylamino)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6913-0025
ethyl 5-[3-(benzylamino)-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

6913-0025

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(C)c(cc2)c1cc2OCC(CNCc1ccccc1)O)=O

InChI

InChI=1S/C23H28N2O4/c1-4-28-23(27)22-16(2)25(3)21-11-10-19(12-20(21)22)29-15-18(26)14-24-13-17-8-6-5-7-9-17/h5-12,18,24,26H,4,13-15H2,1-3H3/t18-/m0/s1

InChI Key

XFOFRJHLQZXTAG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09972584

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

2.109

Water Solubility, LogSw

-3.34

Polar Surface Area

59.159

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

6913-0025 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 6913-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6913-0025?
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What is the minimum amount of 6913-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6913-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6913-0025
  • 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 6913-0025 available by request