8016-5953 Screening compound: {6-bromo-5-methoxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indol-3-yl}(morpholino)methanone

8016-5953 Screening compound: {6-bromo-5-methoxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indol-3-yl}(morpholino)methanone
8016-5953 Screening compound: {6-bromo-5-methoxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indol-3-yl}(morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5953
{6-bromo-5-methoxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indol-3-yl}(morpholino)methanone

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

8016-5953

Molecular Formula

C22H23BrN2O3S (C22 H23 BrN2 O3 S)

Compound Name

{6-bromo-5-methoxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indol-3-yl}(morpholino)methanone

IUPAC name

6-bromo-5-methoxy-1-methyl-3-(morpholine-4-carbonyl)-2-[(phenylsulfanyl)methyl]-1H-indole

SMILES

Cn(c(CSc1ccccc1)c(C(N1CCOCC1)=O)c1c2)c1cc(Br)c2OC

InChI

InChI=1S/C22H23BrN2O3S/c1-24-18-13-17(23)20(27-2)12-16(18)21(22(26)25-8-10-28-11-9-25)19(24)14-29-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3

InChI Key

BPSQXJXCENFVTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.955

Distribution Coefficient, logD

3.955

Water Solubility, LogSw

-4.19

Polar Surface Area

33.947

Acid Dissociation Constant (pKa)

28.82

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

8016-5953 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-5953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5953?
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What is the minimum amount of 8016-5953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5953
  • 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 8016-5953 available by request