M179-3594 Screening compound: 2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one

M179-3594 Screening compound: 2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
M179-3594 Screening compound: 2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-3594
2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one

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

M179-3594

Molecular Formula

C23H24ClN5OS (C23 H24 ClN5 OS)

Compound Name

2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one

IUPAC name

2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one

SMILES

O=C(CSc1cc(NCc(cccc2)c2Cl)ncn1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H24ClN5OS/c24-20-9-5-4-6-18(20)15-25-21-14-22(27-17-26-21)31-16-23(30)29-12-10-28(11-13-29)19-7-2-1-3-8-19/h1-9,14,17H,10-13,15-16H2,(H,25,26,27)

InChI Key

XFFAOKHHGKAAPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.327

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.40

Polar Surface Area

49.592

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

M179-3594 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M179-3594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-3594?
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What is the minimum amount of M179-3594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-3594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-3594
  • 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 M179-3594 available by request