M060-0049 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}acetamide

M060-0049 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}acetamide
M060-0049 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M060-0049
N-(3-chloro-4-fluorophenyl)-2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}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

M060-0049

Molecular Formula

C18H12ClFN4OS (C18 H12 ClFN4 OS)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{5H-pyrimido[54-b]indol-4-ylsulfanyl}acetamide

SMILES

O=C(CSc1ncnc2c1[nH]c1c2cccc1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C18H12ClFN4OS/c19-12-7-10(5-6-13(12)20)23-15(25)8-26-18-17-16(21-9-22-18)11-3-1-2-4-14(11)24-17/h1-7,9,24H,8H2,(H,23,25)

InChI Key

HHATXKLIFVBYDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.84

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

4.109

Distribution Coefficient, logD

4.099

Water Solubility, LogSw

-4.48

Polar Surface Area

53.649

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

M060-0049 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M060-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M060-0049?
Check Price and Availability of M060-0049, 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 M060-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M060-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M060-0049
  • 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 M060-0049 available by request