M179-3091 Screening compound: N-(4-cyanophenyl)-2-({6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

M179-3091 Screening compound: N-(4-cyanophenyl)-2-({6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide
M179-3091 Screening compound: N-(4-cyanophenyl)-2-({6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-3091
N-(4-cyanophenyl)-2-({6-[4-(3-methoxyphenyl)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

M179-3091

Molecular Formula

C24H24N6O2S (C24 H24 N6 O2 S)

Compound Name

N-(4-cyanophenyl)-2-({6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

IUPAC name

N-(4-cyanophenyl)-2-({6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

COc1cccc(N(CC2)CCN2c2cc(SCC(Nc(cc3)ccc3C#N)=O)ncn2)c1

InChI

InChI=1S/C24H24N6O2S/c1-32-21-4-2-3-20(13-21)29-9-11-30(12-10-29)22-14-24(27-17-26-22)33-16-23(31)28-19-7-5-18(15-25)6-8-19/h2-8,13-14,17H,9-12,16H2,1H3,(H,28,31)

InChI Key

HDJSRGCAEOTFKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.236

Distribution Coefficient, logD

4.236

Water Solubility, LogSw

-4.24

Polar Surface Area

73.063

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with M179-3091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-3091?
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What is the minimum amount of M179-3091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-3091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-3091
  • 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 M179-3091 available by request