5311-0250 Screening compound: 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethan-1-one

5311-0250 Screening compound: 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethan-1-one
5311-0250 Screening compound: 1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5311-0250
1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethan-1-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

5311-0250

Molecular Formula

C21H20BrN3O2S2 (C21 H20 BrN3 O2 S2)

Compound Name

1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethan-1-one

IUPAC name

1-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-(45-dihydro-13-thiazol-2-ylsulfanyl)ethan-1-one

SMILES

COc1ccc(C(C2)N(C(CSC3=NCCS3)=O)N=C2c(cc2)ccc2Br)cc1

InChI

InChI=1S/C21H20BrN3O2S2/c1-27-17-8-4-15(5-9-17)19-12-18(14-2-6-16(22)7-3-14)24-25(19)20(26)13-29-21-23-10-11-28-21/h2-9,19H,10-13H2,1H3/t19-/m1/s1

InChI Key

GZOJRURMNATLEE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04423046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.341

Distribution Coefficient, logD

5.333

Water Solubility, LogSw

-5.30

Polar Surface Area

43.845

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

5311-0250 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5311-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5311-0250?
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What is the minimum amount of 5311-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5311-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5311-0250
  • 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 5311-0250 available by request