M060-0464 Screening compound: 2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

M060-0464 Screening compound: 2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
M060-0464 Screening compound: 2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M060-0464
2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

M060-0464

Molecular Formula

C20H15BrN4O3S (C20 H15 BrN4 O3 S)

Compound Name

2-({8-bromo-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-({8-bromo-5H-pyrimido[54-b]indol-4-yl}sulfanyl)-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

O=C(CSc1c2[nH]c(ccc(Br)c3)c3c2ncn1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H15BrN4O3S/c21-11-1-3-14-13(7-11)18-19(25-14)20(23-10-22-18)29-9-17(26)24-12-2-4-15-16(8-12)28-6-5-27-15/h1-4,7-8,10,25H,5-6,9H2,(H,24,26)

InChI Key

FTHZNHUZKDLQKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.32

Polar Surface Area

69.472

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M060-0464 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 M060-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M060-0464?
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What is the minimum amount of M060-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M060-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M060-0464
  • 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 M060-0464 available by request