M179-0027 Screening compound: 2-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide

M179-0027 Screening compound: 2-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
M179-0027 Screening compound: 2-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-0027
2-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)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

M179-0027

Molecular Formula

C19H24N4O4S (C19 H24 N4 O4 S)

Compound Name

2-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide

IUPAC name

2-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(345-trimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CSc2ncnc(N3CCCC3)c2)=O)cc(OC)c1OC

InChI

InChI=1S/C19H24N4O4S/c1-25-14-8-13(9-15(26-2)19(14)27-3)22-17(24)11-28-18-10-16(20-12-21-18)23-6-4-5-7-23/h8-10,12H,4-7,11H2,1-3H3,(H,22,24)

InChI Key

GDKFEATYDGFZDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18200616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.784

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.27

Polar Surface Area

68.547

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

M179-0027 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M179-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-0027?
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What is the minimum amount of M179-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-0027
  • 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 M179-0027 available by request