5645-0249 Screening compound: (E)-N''-(6-{[(4-chlorophenyl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N-(4-ethoxyphenyl)guanidine

5645-0249 Screening compound: (E)-N''-(6-{[(4-chlorophenyl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N-(4-ethoxyphenyl)guanidine
5645-0249 Screening compound: (E)-N''-(6-{[(4-chlorophenyl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N-(4-ethoxyphenyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0249
(E)-N''-(6-{[(4-chlorophenyl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N-(4-ethoxyphenyl)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

5645-0249

Molecular Formula

C20H20ClN5O2S (C20 H20 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N/C(/N)=N/C(NC(CSc(cc1)ccc1Cl)=C1)=NC1=O

InChI

InChI=1S/C20H20ClN5O2S/c1-2-28-16-7-5-14(6-8-16)23-19(22)26-20-24-15(11-18(27)25-20)12-29-17-9-3-13(21)4-10-17/h3-11H,2,12H2,1H3,(H4,22,23,24,25,26,27)

InChI Key

QBJRRKZANQRICG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03687102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.803

Distribution Coefficient, logD

3.803

Water Solubility, LogSw

-4.38

Polar Surface Area

80.853

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 5645-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0249?
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What is the minimum amount of 5645-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0249
  • 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 5645-0249 available by request