M179-4291 Screening compound: N-(2-chloro-5-fluorophenyl)-2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide

M179-4291 Screening compound: N-(2-chloro-5-fluorophenyl)-2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide
M179-4291 Screening compound: N-(2-chloro-5-fluorophenyl)-2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-4291
N-(2-chloro-5-fluorophenyl)-2-{[6-(2-methylpiperidin-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

M179-4291

Molecular Formula

C18H20ClFN4OS (C18 H20 ClFN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(CCCC1)N1c1cc(SCC(Nc(cc(cc2)F)c2Cl)=O)ncn1

InChI

InChI=1S/C18H20ClFN4OS/c1-12-4-2-3-7-24(12)16-9-18(22-11-21-16)26-10-17(25)23-15-8-13(20)5-6-14(15)19/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,23,25)/t12-/m0/s1

InChI Key

PALMZWHZOPNFQZ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27533395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.156

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.25

Polar Surface Area

43.790

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with M179-4291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-4291?
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What is the minimum amount of M179-4291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-4291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-4291
  • 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 M179-4291 available by request