6640-0052 Screening compound: 6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5-pentyl-3-phenyl-3,4-dihydropyrimidin-4-one

6640-0052 Screening compound: 6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5-pentyl-3-phenyl-3,4-dihydropyrimidin-4-one
6640-0052 Screening compound: 6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5-pentyl-3-phenyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6640-0052
6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5-pentyl-3-phenyl-3,4-dihydropyrimidin-4-one

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

6640-0052

Molecular Formula

C21H29N3O3S (C21 H29 N3 O3 S)

Compound Name

6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5-pentyl-3-phenyl-3,4-dihydropyrimidin-4-one

IUPAC name

6-hydroxy-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5-pentyl-3-phenyl-34-dihydropyrimidin-4-one

SMILES

CCCCCC(C(N(c1ccccc1)C(SCCN1CCOCC1)=N1)=O)=C1O

InChI

InChI=1S/C21H29N3O3S/c1-2-3-5-10-18-19(25)22-21(28-16-13-23-11-14-27-15-12-23)24(20(18)26)17-8-6-4-7-9-17/h4,6-9,25H,2-3,5,10-16H2,1H3

InChI Key

XBQGLQYGZAHYIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928264

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

3.154

Water Solubility, LogSw

-3.09

Polar Surface Area

53.221

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

References: we are preparing a list of scientific research reports with 6640-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6640-0052?
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What is the minimum amount of 6640-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6640-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6640-0052
  • 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 6640-0052 available by request