5926-0036 Screening compound: ethyl 6-bromo-5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

5926-0036 Screening compound: ethyl 6-bromo-5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
5926-0036 Screening compound: ethyl 6-bromo-5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5926-0036
ethyl 6-bromo-5-[3-(cyclohexylamino)-2-hydroxypropoxy]-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

5926-0036

Molecular Formula

C28H35BrN2O4S (C28 H35 BrN2 O4 S)

Compound Name

ethyl 6-bromo-5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

IUPAC name

ethyl 6-bromo-5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2)c(CSc3ccccc3)n(C)c1cc(Br)c2OCC(CNC1CCCCC1)O)=O

InChI

InChI=1S/C28H35BrN2O4S/c1-3-34-28(33)27-22-14-26(35-17-20(32)16-30-19-10-6-4-7-11-19)23(29)15-24(22)31(2)25(27)18-36-21-12-8-5-9-13-21/h5,8-9,12-15,19-20,30,32H,3-4,6-7,10-11,16-18H2,1-2H3/t20-/m0/s1

InChI Key

KDBOHEAJIOFCFT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03624147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.886

Distribution Coefficient, logD

3.728

Water Solubility, LogSw

-5.33

Polar Surface Area

58.000

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

9.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

5926-0036 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 5926-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5926-0036?
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What is the minimum amount of 5926-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5926-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5926-0036
  • 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 5926-0036 available by request