8009-6740 Screening compound: 2-[(2,6-dichlorobenzyl)sulfanyl]-1-(2-methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine

8009-6740 Screening compound: 2-[(2,6-dichlorobenzyl)sulfanyl]-1-(2-methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine
8009-6740 Screening compound: 2-[(2,6-dichlorobenzyl)sulfanyl]-1-(2-methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6740
2-[(2,6-dichlorobenzyl)sulfanyl]-1-(2-methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine

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

8009-6740

Molecular Formula

C21H22Cl2N2OS (C21 H22 Cl2 N2 OS)

Compound Name

2-[(2,6-dichlorobenzyl)sulfanyl]-1-(2-methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine

IUPAC name

n/a

SMILES

CC(C)(C=C(C)N1c(cccc2)c2OC)N=C1SCc(c(Cl)ccc1)c1Cl

InChI

InChI=1S/C21H22Cl2N2OS/c1-14-12-21(2,3)24-20(25(14)18-10-5-6-11-19(18)26-4)27-13-15-16(22)8-7-9-17(15)23/h5-12H,13H2,1-4H3

InChI Key

UQKQMGJPHJUVGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.354

Distribution Coefficient, logD

6.272

Water Solubility, LogSw

-6.25

Polar Surface Area

18.634

Acid Dissociation Constant (pKa)

30.41

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8009-6740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6740?
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What is the minimum amount of 8009-6740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6740
  • 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 8009-6740 available by request