6173-0049 Screening compound: N'-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-N-(4-methoxyphenyl)guanidine

6173-0049 Screening compound: N'-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-N-(4-methoxyphenyl)guanidine
6173-0049 Screening compound: N'-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-N-(4-methoxyphenyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6173-0049
N'-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-N-(4-methoxyphenyl)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

6173-0049

Molecular Formula

C20H18N6O2S2 (C20 H18 N6 O2 S2)

Compound Name

N'-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-N-(4-methoxyphenyl)guanidine

IUPAC name

N'-{6-[(13-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-14-dihydropyrimidin-2-yl}-N-(4-methoxyphenyl)guanidine

SMILES

COc(cc1)ccc1NC(NC(NC(CSc1nc(cccc2)c2s1)=C1)=NC1=O)=N

InChI

InChI=1S/C20H18N6O2S2/c1-28-14-8-6-12(7-9-14)22-18(21)26-19-23-13(10-17(27)25-19)11-29-20-24-15-4-2-3-5-16(15)30-20/h2-10H,11H2,1H3,(H4,21,22,23,25,26,27)

InChI Key

VURAERUEFQROEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03863110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

2.771

Water Solubility, LogSw

-4.28

Polar Surface Area

89.011

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

6173-0049 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6173-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6173-0049?
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What is the minimum amount of 6173-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6173-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6173-0049
  • 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 6173-0049 available by request