H025-0523C Screening compound: 1-[({5-bromo-2-ethenyl-1-[2-(pyridin-2-yl)ethyl]-1H-indol-3-yl}methyl)(methyl)amino]propan-2-ol

H025-0523C Screening compound: 1-[({5-bromo-2-ethenyl-1-[2-(pyridin-2-yl)ethyl]-1H-indol-3-yl}methyl)(methyl)amino]propan-2-ol
H025-0523C Screening compound: 1-[({5-bromo-2-ethenyl-1-[2-(pyridin-2-yl)ethyl]-1H-indol-3-yl}methyl)(methyl)amino]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0523C
1-[({5-bromo-2-ethenyl-1-[2-(pyridin-2-yl)ethyl]-1H-indol-3-yl}methyl)(methyl)amino]propan-2-ol

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

H025-0523C

Molecular Formula

C22H26BrN3O (C22 H26 BrN3 O)

Compound Name

1-[({5-bromo-2-ethenyl-1-[2-(pyridin-2-yl)ethyl]-1H-indol-3-yl}methyl)(methyl)amino]propan-2-ol

IUPAC name

1-[({5-bromo-2-ethenyl-1-[2-(pyridin-2-yl)ethyl]-1H-indol-3-yl}methyl)(methyl)amino]propan-2-ol

SMILES

CC(CN(C)Cc1c(C=C)n(CCc2ncccc2)c(cc2)c1cc2Br)O

InChI

InChI=1S/C22H26BrN3O/c1-4-21-20(15-25(3)14-16(2)27)19-13-17(23)8-9-22(19)26(21)12-10-18-7-5-6-11-24-18/h4-9,11,13,16,27H,1,10,12,14-15H2,2-3H3/t16-/m0/s1

InChI Key

CNGBXLSRZRYWNY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27214632

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

428.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.478

Distribution Coefficient, logD

1.496

Water Solubility, LogSw

-4.32

Polar Surface Area

31.065

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

10.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

H025-0523C in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with H025-0523C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0523C?
Check Price and Availability of H025-0523C, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of H025-0523C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0523C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0523C
  • 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 H025-0523C available by request