4383-0072 Screening compound: 4-(3-chlorophenyl)-N-(2,4-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4383-0072 Screening compound: 4-(3-chlorophenyl)-N-(2,4-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4383-0072 Screening compound: 4-(3-chlorophenyl)-N-(2,4-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4383-0072
4-(3-chlorophenyl)-N-(2,4-dimethylphenyl)-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

4383-0072

Molecular Formula

C20H20ClN3OS (C20 H20 ClN3 OS)

Compound Name

4-(3-chlorophenyl)-N-(2,4-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-(3-chlorophenyl)-N-(24-dimethylphenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

Cc(cc1)cc(C)c1NC(C(C(c1cccc(Cl)c1)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C20H20ClN3OS/c1-11-7-8-16(12(2)9-11)23-19(25)17-13(3)22-20(26)24-18(17)14-5-4-6-15(21)10-14/h4-10,18H,1-3H3,(H,23,25)(H2,22,24,26)/t18-/m0/s1

InChI Key

ODEHRNJUBQBLKL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02844745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

4.347

Water Solubility, LogSw

-4.56

Polar Surface Area

45.068

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

4383-0072 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4383-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4383-0072?
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What is the minimum amount of 4383-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4383-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4383-0072
  • 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 4383-0072 available by request