M060-0405 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)acetamide

M060-0405 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)acetamide
M060-0405 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M060-0405
N-(2H-1,3-benzodioxol-5-yl)-2-({7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)acetamide

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

M060-0405

Molecular Formula

C21H18N4O5S (C21 H18 N4 O5 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-({7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({78-dimethoxy-5H-pyrimido[54-b]indol-4-yl}sulfanyl)acetamide

SMILES

COc(c(OC)c1)cc2c1[nH]c1c2ncnc1SCC(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C21H18N4O5S/c1-27-15-6-12-13(7-16(15)28-2)25-20-19(12)22-9-23-21(20)31-8-18(26)24-11-3-4-14-17(5-11)30-10-29-14/h3-7,9,25H,8,10H2,1-2H3,(H,24,26)

InChI Key

QDZFAMOHGQUEKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.821

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.37

Polar Surface Area

86.025

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M060-0405 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M060-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M060-0405?
Check Price and Availability of M060-0405, 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 M060-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M060-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M060-0405
  • 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 M060-0405 available by request