3193-5089 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]acetamide

3193-5089 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]acetamide
3193-5089 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3193-5089
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]acetamide

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

3193-5089

Molecular Formula

C22H17BrF3N5O3 (C22 H17 BrF3 N5 O3)

Compound Name

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]acetamide

IUPAC name

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(3-methoxyphenyl)-4-oxo-34-dihydroquinazolin-3-yl]acetamide

SMILES

Cc(n(CC(NN(C(c1cc(OC)ccc1)=Nc1c2cccc1)C2=O)=O)nc1C(F)(F)F)c1Br

InChI

InChI=1S/C22H17BrF3N5O3/c1-12-18(23)19(22(24,25)26)29-30(12)11-17(32)28-31-20(13-6-5-7-14(10-13)34-2)27-16-9-4-3-8-15(16)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)

InChI Key

SJZUALRELBNBHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

2.508

Water Solubility, LogSw

-3.05

Polar Surface Area

73.828

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3193-5089 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3193-5089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3193-5089?
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What is the minimum amount of 3193-5089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3193-5089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3193-5089
  • 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 3193-5089 available by request