M459-2831 Screening compound: 2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide

M459-2831 Screening compound: 2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
M459-2831 Screening compound: 2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M459-2831
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)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

M459-2831

Molecular Formula

C24H26N4O2S (C24 H26 N4 O2 S)

Compound Name

2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide

IUPAC name

2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide

SMILES

O=C(CSc1nc(N2CCCCCC2)ccn1)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C24H26N4O2S/c29-23(26-19-10-12-21(13-11-19)30-20-8-4-3-5-9-20)18-31-24-25-15-14-22(27-24)28-16-6-1-2-7-17-28/h3-5,8-15H,1-2,6-7,16-18H2,(H,26,29)

InChI Key

HLFTZVXIDDLUHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.005

Distribution Coefficient, logD

6.005

Water Solubility, LogSw

-5.73

Polar Surface Area

50.836

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

M459-2831 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M459-2831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M459-2831?
Check Price and Availability of M459-2831, 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 M459-2831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M459-2831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M459-2831
  • 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 M459-2831 available by request