3908-2217 Screening compound: 4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)-5-[(4-propoxyphenyl)methyl]pyrimidine

3908-2217 Screening compound: 4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)-5-[(4-propoxyphenyl)methyl]pyrimidine
3908-2217 Screening compound: 4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)-5-[(4-propoxyphenyl)methyl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3908-2217
4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)-5-[(4-propoxyphenyl)methyl]pyrimidine

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

3908-2217

Molecular Formula

C20H26ClN3OS (C20 H26 ClN3 OS)

Compound Name

4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)-5-[(4-propoxyphenyl)methyl]pyrimidine

IUPAC name

4-chloro-2-(methylsulfanyl)-6-(piperidin-1-yl)-5-[(4-propoxyphenyl)methyl]pyrimidine

SMILES

CCCOc1ccc(Cc(c(Cl)n2)c(N3CCCCC3)nc2SC)cc1

InChI

InChI=1S/C20H26ClN3OS/c1-3-13-25-16-9-7-15(8-10-16)14-17-18(21)22-20(26-2)23-19(17)24-11-5-4-6-12-24/h7-10H,3-6,11-14H2,1-2H3

InChI Key

ANYKDVVJYOPKMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00571402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.233

Distribution Coefficient, logD

6.233

Water Solubility, LogSw

-6.15

Polar Surface Area

28.701

Acid Dissociation Constant (pKa)

21.20

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3908-2217 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3908-2217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3908-2217?
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What is the minimum amount of 3908-2217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3908-2217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3908-2217
  • 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 3908-2217 available by request