M179-3922 Screening compound: 2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide

M179-3922 Screening compound: 2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
M179-3922 Screening compound: 2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-3922
2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]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

M179-3922

Molecular Formula

C21H21ClN4O2S (C21 H21 ClN4 O2 S)

Compound Name

2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide

IUPAC name

2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide

SMILES

COc1c(CNC(CSc2cc(NCc(cccc3)c3Cl)ncn2)=O)cccc1

InChI

InChI=1S/C21H21ClN4O2S/c1-28-18-9-5-3-7-16(18)12-24-20(27)13-29-21-10-19(25-14-26-21)23-11-15-6-2-4-8-17(15)22/h2-10,14H,11-13H2,1H3,(H,24,27)(H,23,25,26)

InChI Key

LDRPIUQTZGZFMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

4.331

Water Solubility, LogSw

-4.40

Polar Surface Area

62.041

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with M179-3922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-3922?
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What is the minimum amount of M179-3922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-3922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-3922
  • 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 M179-3922 available by request