1428-0046 Screening compound: (4Z)-5-benzyl-1-(4-bromophenyl)-4-[(2,6-dimethylphenyl)imino]-5-methylimidazolidine-2-thione

1428-0046 Screening compound: (4Z)-5-benzyl-1-(4-bromophenyl)-4-[(2,6-dimethylphenyl)imino]-5-methylimidazolidine-2-thione
1428-0046 Screening compound: (4Z)-5-benzyl-1-(4-bromophenyl)-4-[(2,6-dimethylphenyl)imino]-5-methylimidazolidine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1428-0046
(4Z)-5-benzyl-1-(4-bromophenyl)-4-[(2,6-dimethylphenyl)imino]-5-methylimidazolidine-2-thione

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

1428-0046

Molecular Formula

C25H24BrN3S (C25 H24 BrN3 S)

Compound Name

(4Z)-5-benzyl-1-(4-bromophenyl)-4-[(2,6-dimethylphenyl)imino]-5-methylimidazolidine-2-thione

IUPAC name

(4Z)-5-benzyl-1-(4-bromophenyl)-4-[(26-dimethylphenyl)imino]-5-methylimidazolidine-2-thione

SMILES

CC(Cc1ccccc1)(/C(/NC1=S)=N/c2c(C)cccc2C)N1c(cc1)ccc1Br

InChI

InChI=1S/C25H24BrN3S/c1-17-8-7-9-18(2)22(17)27-23-25(3,16-19-10-5-4-6-11-19)29(24(30)28-23)21-14-12-20(26)13-15-21/h4-15H,16H2,1-3H3,(H,27,28,30)/t25-/m0/s1

InChI Key

QRSXHWSYLQOPGK-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00808212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.780

Distribution Coefficient, logD

6.092

Water Solubility, LogSw

-5.99

Polar Surface Area

19.946

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 1428-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1428-0046?
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What is the minimum amount of 1428-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1428-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1428-0046
  • 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 1428-0046 available by request