5645-0244 Screening compound: (E)-N-(3,4-dimethylphenyl)-N''-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)guanidine

5645-0244 Screening compound: (E)-N-(3,4-dimethylphenyl)-N''-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)guanidine
5645-0244 Screening compound: (E)-N-(3,4-dimethylphenyl)-N''-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0244
(E)-N-(3,4-dimethylphenyl)-N''-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)guanidine

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

5645-0244

Molecular Formula

C21H23N5OS (C21 H23 N5 OS)

Compound Name

(E)-N-(3,4-dimethylphenyl)-N''-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)guanidine

IUPAC name

(E)-N-(34-dimethylphenyl)-N''-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-14-dihydropyrimidin-2-yl)guanidine

SMILES

Cc(cc1)ccc1SCC(NC(/N=C(\N)/Nc1cc(C)c(C)cc1)=N1)=CC1=O

InChI

InChI=1S/C21H23N5OS/c1-13-4-8-18(9-5-13)28-12-17-11-19(27)25-21(24-17)26-20(22)23-16-7-6-14(2)15(3)10-16/h4-11H,12H2,1-3H3,(H4,22,23,24,25,26,27)

InChI Key

NGVSJWLMTIJFKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

4.250

Water Solubility, LogSw

-4.31

Polar Surface Area

73.730

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

10.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 5645-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0244?
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What is the minimum amount of 5645-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0244
  • 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 5645-0244 available by request