8016-6082 Screening compound: 5-[(E)-1-(3-bromophenyl)methylidene]-2-[4-(4-methoxyphenyl)piperazino]-1,3-thiazol-4(5H)-one

8016-6082 Screening compound: 5-[(E)-1-(3-bromophenyl)methylidene]-2-[4-(4-methoxyphenyl)piperazino]-1,3-thiazol-4(5H)-one
8016-6082 Screening compound: 5-[(E)-1-(3-bromophenyl)methylidene]-2-[4-(4-methoxyphenyl)piperazino]-1,3-thiazol-4(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6082
5-[(E)-1-(3-bromophenyl)methylidene]-2-[4-(4-methoxyphenyl)piperazino]-1,3-thiazol-4(5H)-one

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

8016-6082

Molecular Formula

C21H20BrN3O2S (C21 H20 BrN3 O2 S)

Compound Name

5-[(E)-1-(3-bromophenyl)methylidene]-2-[4-(4-methoxyphenyl)piperazino]-1,3-thiazol-4(5H)-one

IUPAC name

(5E)-5-[(3-bromophenyl)methylidene]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-45-dihydro-13-thiazol-4-one

SMILES

COc(cc1)ccc1N(CC1)CCN1C(S/C1=C/c2cccc(Br)c2)=NC1=O

InChI

InChI=1S/C21H20BrN3O2S/c1-27-18-7-5-17(6-8-18)24-9-11-25(12-10-24)21-23-20(26)19(28-21)14-15-3-2-4-16(22)13-15/h2-8,13-14H,9-12H2,1H3

InChI Key

NLEAMXBJLXUHIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

4.718

Water Solubility, LogSw

-4.59

Polar Surface Area

36.399

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with 8016-6082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6082?
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What is the minimum amount of 8016-6082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6082
  • 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 8016-6082 available by request