M179-2961 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

M179-2961 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide
M179-2961 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-2961
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-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

M179-2961

Molecular Formula

C24H24FN5O3S (C24 H24 FN5 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

O=C(CSc1ncnc(N(CC2)CCN2c(cccc2)c2F)c1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C24H24FN5O3S/c25-18-3-1-2-4-19(18)29-7-9-30(10-8-29)22-14-24(27-16-26-22)34-15-23(31)28-17-5-6-20-21(13-17)33-12-11-32-20/h1-6,13-14,16H,7-12,15H2,(H,28,31)

InChI Key

GRECXJLUZPWEBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-3.89

Polar Surface Area

63.986

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

M179-2961 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M179-2961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-2961?
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What is the minimum amount of M179-2961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-2961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-2961
  • 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 M179-2961 available by request