2221-0156 Screening compound: N-(4-bromophenyl)-4-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

2221-0156 Screening compound: N-(4-bromophenyl)-4-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
2221-0156 Screening compound: N-(4-bromophenyl)-4-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2221-0156
N-(4-bromophenyl)-4-(2,4-dichlorophenyl)-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

2221-0156

Molecular Formula

C18H14BrCl2N3OS (C18 H14 BrCl2 N3 OS)

Compound Name

N-(4-bromophenyl)-4-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

N-(4-bromophenyl)-4-(24-dichlorophenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(ccc(Cl)c2)c2Cl)=S)=C1C(Nc(cc1)ccc1Br)=O

InChI

InChI=1S/C18H14BrCl2N3OS/c1-9-15(17(25)23-12-5-2-10(19)3-6-12)16(24-18(26)22-9)13-7-4-11(20)8-14(13)21/h2-8,16H,1H3,(H,23,25)(H2,22,24,26)/t16-/m0/s1

InChI Key

SUCVYXHDPQSGAM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00618622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.2

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

5.336

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.97

Polar Surface Area

45.765

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 2221-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2221-0156?
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What is the minimum amount of 2221-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2221-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2221-0156
  • 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 2221-0156 available by request