H027-0004 Screening compound: ethyl 6-bromo-5-hydroxy-4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

H027-0004 Screening compound: ethyl 6-bromo-5-hydroxy-4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
H027-0004 Screening compound: ethyl 6-bromo-5-hydroxy-4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-0004
ethyl 6-bromo-5-hydroxy-4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-methyl-2-[(phenylsulfanyl)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

H027-0004

Molecular Formula

C26H32BrN3O4S (C26 H32 BrN3 O4 S)

Compound Name

ethyl 6-bromo-5-hydroxy-4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

IUPAC name

ethyl 6-bromo-5-hydroxy-4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2CN3CCN(CCO)CC3)c(CSc3ccccc3)n(C)c1cc(Br)c2O)=O

InChI

InChI=1S/C26H32BrN3O4S/c1-3-34-26(33)24-22(17-35-18-7-5-4-6-8-18)28(2)21-15-20(27)25(32)19(23(21)24)16-30-11-9-29(10-12-30)13-14-31/h4-8,15,31-32H,3,9-14,16-17H2,1-2H3

InChI Key

QUGPPKZOIQJFAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

3.660

Water Solubility, LogSw

-4.29

Polar Surface Area

62.171

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

H027-0004 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with H027-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-0004?
Check Price and Availability of H027-0004, 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 H027-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-0004
  • 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 H027-0004 available by request