5201-0096 Screening compound: N-(4-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

5201-0096 Screening compound: N-(4-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
5201-0096 Screening compound: N-(4-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5201-0096
N-(4-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

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

5201-0096

Molecular Formula

C19H18FN3O2S (C19 H18 FN3 O2 S)

Compound Name

N-(4-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

N-(4-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(cccc2)c2OC)=S)=C1C(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C19H18FN3O2S/c1-11-16(18(24)22-13-9-7-12(20)8-10-13)17(23-19(26)21-11)14-5-3-4-6-15(14)25-2/h3-10,17H,1-2H3,(H,22,24)(H2,21,23,26)/t17-/m1/s1

InChI Key

SRZKGXRRNVLJIV-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD04320945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.236

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.68

Polar Surface Area

53.396

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 5201-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5201-0096?
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What is the minimum amount of 5201-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5201-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5201-0096
  • 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 5201-0096 available by request