H027-0166C Screening compound: ethyl 5-hydroxy-4-[(1H-imidazol-1-yl)methyl]-1-methyl-6-(pyridin-3-yl)-2-[(pyrrolidin-1-yl)methyl]-1H-indole-3-carboxylate

H027-0166C Screening compound: ethyl 5-hydroxy-4-[(1H-imidazol-1-yl)methyl]-1-methyl-6-(pyridin-3-yl)-2-[(pyrrolidin-1-yl)methyl]-1H-indole-3-carboxylate
H027-0166C Screening compound: ethyl 5-hydroxy-4-[(1H-imidazol-1-yl)methyl]-1-methyl-6-(pyridin-3-yl)-2-[(pyrrolidin-1-yl)methyl]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-0166C
ethyl 5-hydroxy-4-[(1H-imidazol-1-yl)methyl]-1-methyl-6-(pyridin-3-yl)-2-[(pyrrolidin-1-yl)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

H027-0166C

Molecular Formula

C26H29N5O3 (C26 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(c1c2Cn3cncc3)c(CN3CCCC3)n(C)c1cc(-c1cnccc1)c2O)=O

InChI

InChI=1S/C26H29N5O3/c1-3-34-26(33)24-22(16-30-10-4-5-11-30)29(2)21-13-19(18-7-6-8-27-14-18)25(32)20(23(21)24)15-31-12-9-28-17-31/h6-9,12-14,17,32H,3-5,10-11,15-16H2,1-2H3

InChI Key

KXWVARGTNBLROA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214750

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.640

Distribution Coefficient, logD

-1.131

Water Solubility, LogSw

-2.68

Polar Surface Area

64.159

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

11.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

H027-0166C in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with H027-0166C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-0166C?
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What is the minimum amount of H027-0166C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-0166C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-0166C
  • 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 H027-0166C available by request