3209-0558 Screening compound: 3-bromo-N-[2-(methylsulfanyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0558 Screening compound: 3-bromo-N-[2-(methylsulfanyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0558 Screening compound: 3-bromo-N-[2-(methylsulfanyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0558
3-bromo-N-[2-(methylsulfanyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

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

3209-0558

Molecular Formula

C19H16BrF3N4OS2 (C19 H16 BrF3 N4 OS2)

Compound Name

3-bromo-N-[2-(methylsulfanyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

(5R7S)-3-bromo-N-[2-(methylsulfanyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

CSc(cccc1)c1NC(c1nn([C@H](C[C@@H](c2cccs2)N2)C(F)(F)F)c2c1Br)=O

InChI

InChI=1S/C19H16BrF3N4OS2/c1-29-12-6-3-2-5-10(12)25-18(28)16-15(20)17-24-11(13-7-4-8-30-13)9-14(19(21,22)23)27(17)26-16/h2-8,11,14,24H,9H2,1H3,(H,25,28)/t11-,14-/m1/s1

InChI Key

IVMWIAYDFNRRQT-BXUZGUMPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.923

Distribution Coefficient, logD

4.923

Water Solubility, LogSw

-4.53

Polar Surface Area

49.472

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

3209-0558 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 3209-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0558?
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What is the minimum amount of 3209-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0558
  • 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 3209-0558 available by request