2189-2155 Screening compound: 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

2189-2155 Screening compound: 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
2189-2155 Screening compound: 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-2155
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-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

2189-2155

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

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

IUPAC name

4-(4-hydroxy-3-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

Cc(cc1)ccc1NC(C(C(c(cc1)cc(OC)c1O)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C20H21N3O3S/c1-11-4-7-14(8-5-11)22-19(25)17-12(2)21-20(27)23-18(17)13-6-9-15(24)16(10-13)26-3/h4-10,18,24H,1-3H3,(H,22,25)(H2,21,23,27)/t18-/m1/s1

InChI Key

JOOFAPFINIYZPB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00818658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

2.737

Water Solubility, LogSw

-3.26

Polar Surface Area

69.944

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2189-2155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-2155?
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What is the minimum amount of 2189-2155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-2155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-2155
  • 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 2189-2155 available by request