M179-3919 Screening compound: 2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide

M179-3919 Screening compound: 2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
M179-3919 Screening compound: 2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-3919
2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(4-methylphenyl)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

M179-3919

Molecular Formula

C21H21ClN4OS (C21 H21 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(CSc2cc(NCc(cccc3)c3Cl)ncn2)=O)cc1

InChI

InChI=1S/C21H21ClN4OS/c1-15-6-8-16(9-7-15)11-24-20(27)13-28-21-10-19(25-14-26-21)23-12-17-4-2-3-5-18(17)22/h2-10,14H,11-13H2,1H3,(H,24,27)(H,23,25,26)

InChI Key

VTELGTZCFPTHTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.533

Water Solubility, LogSw

-4.49

Polar Surface Area

54.411

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 M179-3919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-3919?
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What is the minimum amount of M179-3919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-3919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-3919
  • 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 M179-3919 available by request