3209-0544 Screening compound: 3-bromo-N-(2,4-dimethoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0544 Screening compound: 3-bromo-N-(2,4-dimethoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0544 Screening compound: 3-bromo-N-(2,4-dimethoxyphenyl)-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 3209-0544
3-bromo-N-(2,4-dimethoxyphenyl)-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

3209-0544

Molecular Formula

C20H18BrF3N4O3S (C20 H18 BrF3 N4 O3 S)

Compound Name

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

IUPAC name

(5R7S)-3-bromo-N-(24-dimethoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(c1nn([C@H](C[C@@H](c2cccs2)N2)C(F)(F)F)c2c1Br)=O

InChI

InChI=1S/C20H18BrF3N4O3S/c1-30-10-5-6-11(13(8-10)31-2)26-19(29)17-16(21)18-25-12(14-4-3-7-32-14)9-15(20(22,23)24)28(18)27-17/h3-8,12,15,25H,9H2,1-2H3,(H,26,29)/t12-,15-/m1/s1

InChI Key

JQOCFCAAXLTKRQ-IUODEOHRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.46

Polar Surface Area

64.647

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

3209-0544 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3209-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0544?
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What is the minimum amount of 3209-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0544
  • 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 3209-0544 available by request