C653-0300 Screening compound: methyl 2-oxo-4-phenyl-6-[(thiophene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C653-0300 Screening compound: methyl 2-oxo-4-phenyl-6-[(thiophene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C653-0300 Screening compound: methyl 2-oxo-4-phenyl-6-[(thiophene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C653-0300
methyl 2-oxo-4-phenyl-6-[(thiophene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

C653-0300

Molecular Formula

C17H16N2O5S2 (C17 H16 N2 O5 S2)

Compound Name

methyl 2-oxo-4-phenyl-6-[(thiophene-2-sulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 2-oxo-4-phenyl-6-[(thiophene-2-sulfonyl)methyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

COC(C(C(c1ccccc1)N1)=C(CS(c2cccs2)(=O)=O)NC1=O)=O

InChI

InChI=1S/C17H16N2O5S2/c1-24-16(20)14-12(10-26(22,23)13-8-5-9-25-13)18-17(21)19-15(14)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3,(H2,18,19,21)/t15-/m1/s1

InChI Key

UARGPKQUOBZTEE-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08141535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

1.330

Water Solubility, LogSw

-2.25

Polar Surface Area

87.255

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

C653-0300 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C653-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C653-0300?
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What is the minimum amount of C653-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C653-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C653-0300
  • 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 C653-0300 available by request