H027-0134 Screening compound: ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-(hydroxymethyl)-1-methyl-6-(3-pyridyl)-1H-indole-3-carboxylate

H027-0134 Screening compound: ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-(hydroxymethyl)-1-methyl-6-(3-pyridyl)-1H-indole-3-carboxylate
H027-0134 Screening compound: ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-(hydroxymethyl)-1-methyl-6-(3-pyridyl)-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-0134
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-(hydroxymethyl)-1-methyl-6-(3-pyridyl)-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

H027-0134

Molecular Formula

C21H25N3O4 (C21 H25 N3 O4)

Compound Name

ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-(hydroxymethyl)-1-methyl-6-(3-pyridyl)-1H-indole-3-carboxylate

IUPAC name

ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-(hydroxymethyl)-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2CN(C)C)c(CO)n(C)c1cc(-c1cnccc1)c2O)=O

InChI

InChI=1S/C21H25N3O4/c1-5-28-21(27)19-17(12-25)24(4)16-9-14(13-7-6-8-22-10-13)20(26)15(18(16)19)11-23(2)3/h6-10,25-26H,5,11-12H2,1-4H3

InChI Key

RWXPNMYJILGYIN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.713

Distribution Coefficient, logD

0.622

Water Solubility, LogSw

-2.05

Polar Surface Area

68.513

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

H027-0134 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 H027-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-0134?
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What is the minimum amount of H027-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-0134
  • 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 H027-0134 available by request