M179-3007 Screening compound: N-(2-chloro-5-fluorophenyl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

M179-3007 Screening compound: N-(2-chloro-5-fluorophenyl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide
M179-3007 Screening compound: N-(2-chloro-5-fluorophenyl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-3007
N-(2-chloro-5-fluorophenyl)-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

M179-3007

Molecular Formula

C22H20ClF2N5OS (C22 H20 ClF2 N5 OS)

Compound Name

N-(2-chloro-5-fluorophenyl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

IUPAC name

N-(2-chloro-5-fluorophenyl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

O=C(CSc1ncnc(N(CC2)CCN2c(cccc2)c2F)c1)Nc(cc(cc1)F)c1Cl

InChI

InChI=1S/C22H20ClF2N5OS/c23-16-6-5-15(24)11-18(16)28-21(31)13-32-22-12-20(26-14-27-22)30-9-7-29(8-10-30)19-4-2-1-3-17(19)25/h1-6,11-12,14H,7-10,13H2,(H,28,31)

InChI Key

ANQIRCUXIJQTEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18200638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.975

Distribution Coefficient, logD

4.964

Water Solubility, LogSw

-5.21

Polar Surface Area

47.465

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M179-3007 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 M179-3007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-3007?
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What is the minimum amount of M179-3007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-3007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-3007
  • 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 M179-3007 available by request