M060-0421 Screening compound: 2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-cyclohexylacetamide

M060-0421 Screening compound: 2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-cyclohexylacetamide
M060-0421 Screening compound: 2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M060-0421
2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-cyclohexylacetamide

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

M060-0421

Molecular Formula

C18H19BrN4OS (C18 H19 BrN4 OS)

Compound Name

2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-cyclohexylacetamide

IUPAC name

2-({8-bromo-5H-pyrimido[54-b]indol-4-yl}sulfanyl)-N-cyclohexylacetamide

SMILES

O=C(CSc1c2[nH]c(ccc(Br)c3)c3c2ncn1)NC1CCCCC1

InChI

InChI=1S/C18H19BrN4OS/c19-11-6-7-14-13(8-11)16-17(23-14)18(21-10-20-16)25-9-15(24)22-12-4-2-1-3-5-12/h6-8,10,12,23H,1-5,9H2,(H,22,24)

InChI Key

RLQXCTLMQNEUTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.15

Polar Surface Area

54.697

Acid Dissociation Constant (pKa)

15.71

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

M060-0421 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M060-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M060-0421?
Check Price and Availability of M060-0421, 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 M060-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M060-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M060-0421
  • 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 M060-0421 available by request