4632-5664 Screening compound: 1-[(4-bromophenyl)methyl]-3-(morpholine-4-carbothioyl)-1H-indole

4632-5664 Screening compound: 1-[(4-bromophenyl)methyl]-3-(morpholine-4-carbothioyl)-1H-indole
4632-5664 Screening compound: 1-[(4-bromophenyl)methyl]-3-(morpholine-4-carbothioyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4632-5664
1-[(4-bromophenyl)methyl]-3-(morpholine-4-carbothioyl)-1H-indole

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

4632-5664

Molecular Formula

C20H19BrN2OS (C20 H19 BrN2 OS)

Compound Name

1-[(4-bromophenyl)methyl]-3-(morpholine-4-carbothioyl)-1H-indole

IUPAC name

n/a

SMILES

S=C(c1cn(Cc(cc2)ccc2Br)c2c1cccc2)N1CCOCC1

InChI

InChI=1S/C20H19BrN2OS/c21-16-7-5-15(6-8-16)13-23-14-18(17-3-1-2-4-19(17)23)20(25)22-9-11-24-12-10-22/h1-8,14H,9-13H2

InChI Key

MTXQBYUADYLVCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02909337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.724

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-4.77

Polar Surface Area

11.827

Acid Dissociation Constant (pKa)

26.80

Base Dissociation Constant (pKb)

9.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4632-5664 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4632-5664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4632-5664?
Check Price and Availability of 4632-5664, 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 4632-5664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4632-5664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4632-5664
  • 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 4632-5664 available by request